N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine

C17H30N2O — CID 66339006

IUPACN-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
SMILESCc1oc(CCCCNC2CC2)cc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)11-18-12-15-10-17(20-14(15)3)6-4-5-9-19-16-7-8-16/h10,13,16,18-19H,4-9,11-12H2,1-3H3
InChIKeyKCNHEMHCBOOHFH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.41
Rot. Bonds10

About N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine

N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine (PubChem CID 66339006) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
PubChem CID66339006
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine
SMILESCc1oc(CCCCNC2CC2)cc1CNCC(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)11-18-12-15-10-17(20-14(15)3)6-4-5-9-19-16-7-8-16/h10,13,16,18-19H,4-9,11-12H2,1-3H3
InChIKeyKCNHEMHCBOOHFH-UHFFFAOYSA-N
XLogP3.41
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66322124
N-[4-[5-methyl-4-(propylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337351
N-[4-[5-methyl-4-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66321715
N-[4-[2-methyl-5-(methylaminomethyl)furan-3-yl]butyl]cyclopropanamine
CID 66339544
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
N-[[2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62422031
N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62447647
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 64582400
N-[4-[5-(ethylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337535
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62427807
N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337536

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine (CID 66339006) is N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine is Cc1oc(CCCCNC2CC2)cc1CNCC(C)C.
What is the InChIKey of N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine?
The InChIKey is KCNHEMHCBOOHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)11-18-12-15-10-17(20-14(15)3)6-4-5-9-19-16-7-8-16/h10,13,16,18-19H,4-9,11-12H2,1-3H3.
What are the key properties of N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine?
N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine has a molecular weight of 278.44 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-4-[(2-methylpropylamino)methyl]furan-2-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66339006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).