N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine

C14H29N — CID 177053688

IUPACN-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
SMILESC=CCC(CN(C)[C@@H](C)CCC)C(C)C
InChIInChI=1S/C14H29N/c1-7-9-13(5)15(6)11-14(10-8-2)12(3)4/h8,12-14H,2,7,9-11H2,1,3-6H3/t13-,14?/m0/s1
InChIKeyPVMPDDHWZLRXJH-LSLKUGRBSA-N
MW211.39 g/mol
LogP3.96
Rot. Bonds8

About N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine

N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine (PubChem CID 177053688) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
PubChem CID177053688
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
SMILESC=CCC(CN(C)[C@@H](C)CCC)C(C)C
InChIInChI=1S/C14H29N/c1-7-9-13(5)15(6)11-14(10-8-2)12(3)4/h8,12-14H,2,7,9-11H2,1,3-6H3/t13-,14?/m0/s1
InChIKeyPVMPDDHWZLRXJH-LSLKUGRBSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-propan-2-ylpent-4-en-1-amine
CID 146560715
4-propan-2-ylhepta-1,6-diene
CID 14140894
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
4-propan-2-ylnon-1-ene
CID 173177475
N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
CID 129066441
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220
4,5-diethylhept-1-ene
CID 123746760

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine?
The IUPAC name of N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine (CID 177053688) is N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine.
What is the SMILES notation for N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine?
The canonical SMILES for N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine is C=CCC(CN(C)[C@@H](C)CCC)C(C)C.
What is the InChIKey of N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine?
The InChIKey is PVMPDDHWZLRXJH-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H29N/c1-7-9-13(5)15(6)11-14(10-8-2)12(3)4/h8,12-14H,2,7,9-11H2,1,3-6H3/t13-,14?/m0/s1.
What are the key properties of N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine?
N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine is sourced from PubChem (CID 177053688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).