N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine

C14H31N — CID 142386094

IUPACN,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
SMILESCCC(C)CCN(C)C(C)(C)CC(C)C
InChIInChI=1S/C14H31N/c1-8-13(4)9-10-15(7)14(5,6)11-12(2)3/h12-13H,8-11H2,1-7H3
InChIKeyCPXDHFZXEOGBHN-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds7

About N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine

N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine (PubChem CID 142386094) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
PubChem CID142386094
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
SMILESCCC(C)CCN(C)C(C)(C)CC(C)C
InChIInChI=1S/C14H31N/c1-8-13(4)9-10-15(7)14(5,6)11-12(2)3/h12-13H,8-11H2,1-7H3
InChIKeyCPXDHFZXEOGBHN-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
N,2,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 88871230
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine
CID 174180285
2,5-dimethylheptane;propane
CID 145235091
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine?
The IUPAC name of N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine (CID 142386094) is N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine.
What is the SMILES notation for N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine?
The canonical SMILES for N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine is CCC(C)CCN(C)C(C)(C)CC(C)C.
What is the InChIKey of N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine?
The InChIKey is CPXDHFZXEOGBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-8-13(4)9-10-15(7)14(5,6)11-12(2)3/h12-13H,8-11H2,1-7H3.
What are the key properties of N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine?
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine is sourced from PubChem (CID 142386094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).