N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine

C14H29N — CID 91561482

IUPACN-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine
SMILESC=C(C(C)NCCCC)C(C)(CC)CC
InChIInChI=1S/C14H29N/c1-7-10-11-15-13(5)12(4)14(6,8-2)9-3/h13,15H,4,7-11H2,1-3,5-6H3
InChIKeyGGGBNUKCRAADQX-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.15
Rot. Bonds8

About N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine

N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine (PubChem CID 91561482) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine.

Molecular Properties

Compound NameN-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine
PubChem CID91561482
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine
SMILESC=C(C(C)NCCCC)C(C)(CC)CC
InChIInChI=1S/C14H29N/c1-7-10-11-15-13(5)12(4)14(6,8-2)9-3/h13,15H,4,7-11H2,1-3,5-6H3
InChIKeyGGGBNUKCRAADQX-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine?
The IUPAC name of N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine (CID 91561482) is N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine.
What is the SMILES notation for N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine?
The canonical SMILES for N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine is C=C(C(C)NCCCC)C(C)(CC)CC.
What is the InChIKey of N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine?
The InChIKey is GGGBNUKCRAADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-10-11-15-13(5)12(4)14(6,8-2)9-3/h13,15H,4,7-11H2,1-3,5-6H3.
What are the key properties of N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine?
N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine is sourced from PubChem (CID 91561482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).