(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine

C14H29N — CID 146245891

IUPAC(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine
SMILESC/C=C(\C(C)C)N(CCC)CCCCC
InChIInChI=1S/C14H29N/c1-6-9-10-12-15(11-7-2)14(8-3)13(4)5/h8,13H,6-7,9-12H2,1-5H3/b14-8+
InChIKeyBXBPHHFZLCXOMT-RIYZIHGNSA-N
MW211.39 g/mol
LogP4.45
Rot. Bonds8

About (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine

(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine (PubChem CID 146245891) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine.

Molecular Properties

Compound Name(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine
PubChem CID146245891
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine
SMILESC/C=C(\C(C)C)N(CCC)CCCCC
InChIInChI=1S/C14H29N/c1-6-9-10-12-15(11-7-2)14(8-3)13(4)5/h8,13H,6-7,9-12H2,1-5H3/b14-8+
InChIKeyBXBPHHFZLCXOMT-RIYZIHGNSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexyl(octadecyl)carbamic acid
CID 87702094
3-methyl-1-pentyl-1-propylurea
CID 134269758
(2E,4Z,6Z)-N-hexyl-N-propylnona-2,4,6-trien-3-amine
CID 170060787
2-chloro-N,N-dihexylpropanamide
CID 533081
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
2-amino-N,N-dihexylpropanamide
CID 54872127
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
2-oxo-N,N-dipentylacetamide
CID 173270633
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
S-propan-2-yl N,N-dibutylcarbamothioate
CID 121012094

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine?
The IUPAC name of (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine (CID 146245891) is (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine.
What is the SMILES notation for (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine?
The canonical SMILES for (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine is C/C=C(\C(C)C)N(CCC)CCCCC.
What is the InChIKey of (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine?
The InChIKey is BXBPHHFZLCXOMT-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H29N/c1-6-9-10-12-15(11-7-2)14(8-3)13(4)5/h8,13H,6-7,9-12H2,1-5H3/b14-8+.
What are the key properties of (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine?
(E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine has a molecular weight of 211.39 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-pentyl-N-propylpent-2-en-3-amine is sourced from PubChem (CID 146245891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).