N-(3-ethylheptyl)-2-methyloxolan-3-amine

C14H29NO — CID 115885895

IUPACN-(3-ethylheptyl)-2-methyloxolan-3-amine
SMILESCCCCC(CC)CCNC1CCOC1C
InChIInChI=1S/C14H29NO/c1-4-6-7-13(5-2)8-10-15-14-9-11-16-12(14)3/h12-15H,4-11H2,1-3H3
InChIKeyVNEJLYVOEUNJOG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About N-(3-ethylheptyl)-2-methyloxolan-3-amine

N-(3-ethylheptyl)-2-methyloxolan-3-amine (PubChem CID 115885895) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3-ethylheptyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-ethylheptyl)-2-methyloxolan-3-amine
PubChem CID115885895
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3-ethylheptyl)-2-methyloxolan-3-amine
SMILESCCCCC(CC)CCNC1CCOC1C
InChIInChI=1S/C14H29NO/c1-4-6-7-13(5-2)8-10-15-14-9-11-16-12(14)3/h12-15H,4-11H2,1-3H3
InChIKeyVNEJLYVOEUNJOG-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylheptyl)-2-methyloxolan-3-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

(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
2-methyl-N-(3-propoxypropyl)oxolan-3-amine
CID 82940328
2-(2-ethylhexyl)oxetane
CID 158420180
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545
N',N'-diethyl-N-[(2S,3S)-2-methyloxolan-3-yl]propane-1,3-diamine
CID 97358031
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylhexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870264
(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 97358081
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylheptyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(3-ethylheptyl)-2-methyloxolan-3-amine (CID 115885895) is N-(3-ethylheptyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3-ethylheptyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3-ethylheptyl)-2-methyloxolan-3-amine is CCCCC(CC)CCNC1CCOC1C.
What is the InChIKey of N-(3-ethylheptyl)-2-methyloxolan-3-amine?
The InChIKey is VNEJLYVOEUNJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-7-13(5-2)8-10-15-14-9-11-16-12(14)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(3-ethylheptyl)-2-methyloxolan-3-amine?
N-(3-ethylheptyl)-2-methyloxolan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylheptyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 115885895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).