N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine

C17H37N — CID 170732877

IUPACN,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine
SMILESCC(C)CCC(C)(C)N(C)CCC(C)(C)C(C)C
InChIInChI=1S/C17H37N/c1-14(2)10-11-17(7,8)18(9)13-12-16(5,6)15(3)4/h14-15H,10-13H2,1-9H3
InChIKeyJWMMRBFRMTYLBP-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.21
Rot. Bonds8

About N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine

N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine (PubChem CID 170732877) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine
PubChem CID170732877
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine
SMILESCC(C)CCC(C)(C)N(C)CCC(C)(C)C(C)C
InChIInChI=1S/C17H37N/c1-14(2)10-11-17(7,8)18(9)13-12-16(5,6)15(3)4/h14-15H,10-13H2,1-9H3
InChIKeyJWMMRBFRMTYLBP-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
3-ethyl-2,3,6-trimethylheptane
CID 53428909
2,5,5,6-tetramethyloctane
CID 53424276
2,5,8-trimethylnonan-5-ol
CID 58574498
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
3,6-dimethyl-3-propan-2-ylheptane-2-thiol
CID 174347496
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine?
The IUPAC name of N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine (CID 170732877) is N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine.
What is the SMILES notation for N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine?
The canonical SMILES for N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine is CC(C)CCC(C)(C)N(C)CCC(C)(C)C(C)C.
What is the InChIKey of N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine?
The InChIKey is JWMMRBFRMTYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-14(2)10-11-17(7,8)18(9)13-12-16(5,6)15(3)4/h14-15H,10-13H2,1-9H3.
What are the key properties of N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine?
N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine has a molecular weight of 255.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine is sourced from PubChem (CID 170732877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).