(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine

C11H23N — CID 143683081

IUPAC(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine
SMILESC/C=C(\NCCCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-6-8-9-12-10(7-2)11(3,4)5/h7,12H,6,8-9H2,1-5H3/b10-7-
InChIKeyBLOXJNVFSATHPW-YFHOEESVSA-N
MW169.31 g/mol
LogP3.33
Rot. Bonds4

About (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine

(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine (PubChem CID 143683081) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine
PubChem CID143683081
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine
SMILESC/C=C(\NCCCC)C(C)(C)C
InChIInChI=1S/C11H23N/c1-6-8-9-12-10(7-2)11(3,4)5/h7,12H,6,8-9H2,1-5H3/b10-7-
InChIKeyBLOXJNVFSATHPW-YFHOEESVSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.33
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

2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
tert-butyl N-butylcarbamate;methane
CID 153346289
1-butyl-3-(3,3-dimethylbutyl)thiourea
CID 115580660
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-butyl-3,3-dimethylpent-4-enamide
CID 154977240
N-butyl-10,10-dimethylundecanamide
CID 19922141
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
butylcarbamic acid
CID 3026651
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
N-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 111152372
(E)-1-N'-dodecylprop-1-ene-1,1-diamine
CID 87082536

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine?
The IUPAC name of (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine (CID 143683081) is (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine.
What is the SMILES notation for (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine?
The canonical SMILES for (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine is C/C=C(\NCCCC)C(C)(C)C.
What is the InChIKey of (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine?
The InChIKey is BLOXJNVFSATHPW-YFHOEESVSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-9-12-10(7-2)11(3,4)5/h7,12H,6,8-9H2,1-5H3/b10-7-.
What are the key properties of (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine?
(Z)-N-butyl-4,4-dimethylpent-2-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4,4-dimethylpent-2-en-3-amine is sourced from PubChem (CID 143683081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).