1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine

C14H25NO — CID 105170638

IUPAC1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccco1)C(C)CC
InChIInChI=1S/C14H25NO/c1-4-10-15-14(12(3)5-2)9-8-13-7-6-11-16-13/h6-7,11-12,14-15H,4-5,8-10H2,1-3H3
InChIKeyZSUNHILVLNOACC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.63
Rot. Bonds8

About 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine

1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine (PubChem CID 105170638) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
PubChem CID105170638
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccco1)C(C)CC
InChIInChI=1S/C14H25NO/c1-4-10-15-14(12(3)5-2)9-8-13-7-6-11-16-13/h6-7,11-12,14-15H,4-5,8-10H2,1-3H3
InChIKeyZSUNHILVLNOACC-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
1-(furan-2-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720645
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
2-(3-methylhexyl)furan
CID 12840321
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
CID 64609276
1-cyclopropyl-5-(furan-2-yl)-N-propylpentan-3-amine
CID 105157945
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine?
The IUPAC name of 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine (CID 105170638) is 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine?
The canonical SMILES for 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine is CCCNC(CCc1ccco1)C(C)CC.
What is the InChIKey of 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine?
The InChIKey is ZSUNHILVLNOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-10-15-14(12(3)5-2)9-8-13-7-6-11-16-13/h6-7,11-12,14-15H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine?
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 105170638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).