(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine

C13H27NO — CID 28879278

IUPAC(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
SMILESCCCCCC[C@@H](C)NC[C@@H]1CCCO1
InChIInChI=1S/C13H27NO/c1-3-4-5-6-8-12(2)14-11-13-9-7-10-15-13/h12-14H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyVVABUHJNUYXNFW-OLZOCXBDSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds8

About (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine

(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine (PubChem CID 28879278) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
PubChem CID28879278
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
SMILESCCCCCC[C@@H](C)NC[C@@H]1CCCO1
InChIInChI=1S/C13H27NO/c1-3-4-5-6-8-12(2)14-11-13-9-7-10-15-13/h12-14H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyVVABUHJNUYXNFW-OLZOCXBDSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

Analyze (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
1-N,1-N-diethyl-4-N-(oxan-2-ylmethyl)pentane-1,4-diamine
CID 43403646
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
2-(oxolan-2-ylmethylamino)heptanamide
CID 61006217
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
CID 116521320
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine?
The IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine (CID 28879278) is (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine.
What is the SMILES notation for (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine?
The canonical SMILES for (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine is CCCCCC[C@@H](C)NC[C@@H]1CCCO1.
What is the InChIKey of (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine?
The InChIKey is VVABUHJNUYXNFW-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-6-8-12(2)14-11-13-9-7-10-15-13/h12-14H,3-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine?
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine is sourced from PubChem (CID 28879278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).