N-butyl-3,4,5,6-tetramethylheptan-2-amine

C15H33N — CID 91139957

IUPACN-butyl-3,4,5,6-tetramethylheptan-2-amine
SMILESCCCCNC(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C15H33N/c1-8-9-10-16-15(7)14(6)13(5)12(4)11(2)3/h11-16H,8-10H2,1-7H3
InChIKeyMISVHYBKJUCPSN-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.33
Rot. Bonds8

About N-butyl-3,4,5,6-tetramethylheptan-2-amine

N-butyl-3,4,5,6-tetramethylheptan-2-amine (PubChem CID 91139957) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-butyl-3,4,5,6-tetramethylheptan-2-amine.

Molecular Properties

Compound NameN-butyl-3,4,5,6-tetramethylheptan-2-amine
PubChem CID91139957
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-butyl-3,4,5,6-tetramethylheptan-2-amine
SMILESCCCCNC(C)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C15H33N/c1-8-9-10-16-15(7)14(6)13(5)12(4)11(2)3/h11-16H,8-10H2,1-7H3
InChIKeyMISVHYBKJUCPSN-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
(2R)-3-N-butylbutane-2,3-diamine
CID 148852356
N-butyl-3-methylpentan-2-amine
CID 43200990
N-butyl-3-methylhexan-2-amine
CID 123937982
N-propan-2-ylbutan-1-amine chloride
CID 19629099
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-pentan-2-ylheptan-1-amine
CID 43129169
N-butylundecan-2-amine
CID 90035852
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4,5,6-tetramethylheptan-2-amine?
The IUPAC name of N-butyl-3,4,5,6-tetramethylheptan-2-amine (CID 91139957) is N-butyl-3,4,5,6-tetramethylheptan-2-amine.
What is the SMILES notation for N-butyl-3,4,5,6-tetramethylheptan-2-amine?
The canonical SMILES for N-butyl-3,4,5,6-tetramethylheptan-2-amine is CCCCNC(C)C(C)C(C)C(C)C(C)C.
What is the InChIKey of N-butyl-3,4,5,6-tetramethylheptan-2-amine?
The InChIKey is MISVHYBKJUCPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-8-9-10-16-15(7)14(6)13(5)12(4)11(2)3/h11-16H,8-10H2,1-7H3.
What are the key properties of N-butyl-3,4,5,6-tetramethylheptan-2-amine?
N-butyl-3,4,5,6-tetramethylheptan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4,5,6-tetramethylheptan-2-amine is sourced from PubChem (CID 91139957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).