N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

C17H30N2O — CID 62417686

IUPACN-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccoc1CN1CCCCCCC1
InChIInChI=1S/C17H30N2O/c1-15(2)12-18-13-16-8-11-20-17(16)14-19-9-6-4-3-5-7-10-19/h8,11,15,18H,3-7,9-10,12-14H2,1-2H3
InChIKeyXHTHXVXZSIQPAL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62417686) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62417686
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccoc1CN1CCCCCCC1
InChIInChI=1S/C17H30N2O/c1-15(2)12-18-13-16-8-11-20-17(16)14-19-9-6-4-3-5-7-10-19/h8,11,15,18H,3-7,9-10,12-14H2,1-2H3
InChIKeyXHTHXVXZSIQPAL-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62431404
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 103540003
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 83221234
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62433499
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (CID 62417686) is N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccoc1CN1CCCCCCC1.
What is the InChIKey of N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XHTHXVXZSIQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2)12-18-13-16-8-11-20-17(16)14-19-9-6-4-3-5-7-10-19/h8,11,15,18H,3-7,9-10,12-14H2,1-2H3.
What are the key properties of N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62417686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).