N-(oxan-2-ylmethyl)heptan-3-amine

C13H27NO — CID 63946719

IUPACN-(oxan-2-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCC1CCCCO1
InChIInChI=1S/C13H27NO/c1-3-5-8-12(4-2)14-11-13-9-6-7-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyPAOPMVGJWMPTKQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds7

About N-(oxan-2-ylmethyl)heptan-3-amine

N-(oxan-2-ylmethyl)heptan-3-amine (PubChem CID 63946719) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)heptan-3-amine
PubChem CID63946719
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(oxan-2-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCC1CCCCO1
InChIInChI=1S/C13H27NO/c1-3-5-8-12(4-2)14-11-13-9-6-7-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyPAOPMVGJWMPTKQ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
2-(oxan-2-ylmethylamino)propane-1,3-diol
CID 65314164
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
CID 55014476
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine
CID 43403646
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)heptan-3-amine?
The IUPAC name of N-(oxan-2-ylmethyl)heptan-3-amine (CID 63946719) is N-(oxan-2-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)heptan-3-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)heptan-3-amine is CCCCC(CC)NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)heptan-3-amine?
The InChIKey is PAOPMVGJWMPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-8-12(4-2)14-11-13-9-6-7-10-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(oxan-2-ylmethyl)heptan-3-amine?
N-(oxan-2-ylmethyl)heptan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)heptan-3-amine is sourced from PubChem (CID 63946719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).