N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

C18H30N2O — CID 114460894

IUPACN-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-5-9-19-13-15-8-12-21-17(15)14-20-10-6-16(7-11-20)18(2,3)4/h6,8,12,19H,5,7,9-11,13-14H2,1-4H3
InChIKeyULPOZSMQNVKZGU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.96
Rot. Bonds6

About N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 114460894) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID114460894
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H30N2O/c1-5-9-19-13-15-8-12-21-17(15)14-20-10-6-16(7-11-20)18(2,3)4/h6,8,12,19H,5,7,9-11,13-14H2,1-4H3
InChIKeyULPOZSMQNVKZGU-UHFFFAOYSA-N
XLogP3.96
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 102745997
N-[[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456153
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 62424247
N-[[3-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 107456302
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62423399
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 114460894) is N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1CN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is ULPOZSMQNVKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-9-19-13-15-8-12-21-17(15)14-20-10-6-16(7-11-20)18(2,3)4/h6,8,12,19H,5,7,9-11,13-14H2,1-4H3.
What are the key properties of N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114460894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).