N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine

C16H28N2O — CID 62411453

IUPACN-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(CC2CC2)C(C)C)o1
InChIInChI=1S/C16H28N2O/c1-4-9-17-10-15-7-8-16(19-15)12-18(13(2)3)11-14-5-6-14/h7-8,13-14,17H,4-6,9-12H2,1-3H3
InChIKeyYCNNMDBIDRVULX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.40
Rot. Bonds9

About N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62411453) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62411453
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(CC2CC2)C(C)C)o1
InChIInChI=1S/C16H28N2O/c1-4-9-17-10-15-7-8-16(19-15)12-18(13(2)3)11-14-5-6-14/h7-8,13-14,17H,4-6,9-12H2,1-3H3
InChIKeyYCNNMDBIDRVULX-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62429059
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 64520094
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62426395
N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074401
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-propylpropane-1,2-diamine
CID 63938140
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62431944
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431088

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62411453) is N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(CC2CC2)C(C)C)o1.
What is the InChIKey of N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is YCNNMDBIDRVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-9-17-10-15-7-8-16(19-15)12-18(13(2)3)11-14-5-6-14/h7-8,13-14,17H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62411453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).