N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine

C16H35N — CID 174327500

IUPACN-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine
SMILESCCCN(CCCC(CC)C(C)C)C(C)CC
InChIInChI=1S/C16H35N/c1-7-12-17(15(6)8-2)13-10-11-16(9-3)14(4)5/h14-16H,7-13H2,1-6H3
InChIKeyRTHGCYSQFJGKGX-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.96
Rot. Bonds10

About N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine

N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine (PubChem CID 174327500) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine
PubChem CID174327500
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine
SMILESCCCN(CCCC(CC)C(C)C)C(C)CC
InChIInChI=1S/C16H35N/c1-7-12-17(15(6)8-2)13-10-11-16(9-3)14(4)5/h14-16H,7-13H2,1-6H3
InChIKeyRTHGCYSQFJGKGX-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropylbutan-2-amine
CID 524229
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-1-iodo-5-methylhexane
CID 118326959
4-ethyl-5-methylhexan-1-ol
CID 87192920
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
5-ethyl-6-methylheptan-1-ol
CID 91402591
N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
CID 81080597

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine?
The IUPAC name of N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine (CID 174327500) is N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine is CCCN(CCCC(CC)C(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine?
The InChIKey is RTHGCYSQFJGKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-12-17(15(6)8-2)13-10-11-16(9-3)14(4)5/h14-16H,7-13H2,1-6H3.
What are the key properties of N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine?
N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 174327500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).