N-but-3-enyl-N,3-dimethylbutan-1-amine

C10H21N — CID 123178375

IUPACN-but-3-enyl-N,3-dimethylbutan-1-amine
SMILESC=CCCN(C)CCC(C)C
InChIInChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h5,10H,1,6-9H2,2-4H3
InChIKeyAFNWNUIBLLCELG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.54
Rot. Bonds6

About N-but-3-enyl-N,3-dimethylbutan-1-amine

N-but-3-enyl-N,3-dimethylbutan-1-amine (PubChem CID 123178375) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-but-3-enyl-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-N,3-dimethylbutan-1-amine
PubChem CID123178375
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-but-3-enyl-N,3-dimethylbutan-1-amine
SMILESC=CCCN(C)CCC(C)C
InChIInChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h5,10H,1,6-9H2,2-4H3
InChIKeyAFNWNUIBLLCELG-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.54
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

Trimethyl(pent-4-enyl)azanium
CID 22486
N,N-Diethyl-4-penten-1-amine
CID 559585
3-Buten-1-amine, N,N-diethyl-
CID 559299
N-but-3-enyl-N-methylbut-3-en-1-amine
CID 13774522
5-(N,N-diisobutylamino)-1-pentene
CID 88291345
N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
N-(cyclopropylmethyl)-N-(1-fluoroethyl)but-3-en-1-amine
CID 138503164
N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
CID 170249868
N-fluoro-2-methyl-N-propylbut-3-en-1-amine
CID 174177199
3-Buten-1-amine, n-butyl-N-methyl-
CID 547050
Dipropylamine, N-(3-butenyl)-
CID 574990
3-Buten-1-amine, N,N-dibutyl-
CID 588287

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N,3-dimethylbutan-1-amine?
The IUPAC name of N-but-3-enyl-N,3-dimethylbutan-1-amine (CID 123178375) is N-but-3-enyl-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-but-3-enyl-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-but-3-enyl-N,3-dimethylbutan-1-amine is C=CCCN(C)CCC(C)C.
What is the InChIKey of N-but-3-enyl-N,3-dimethylbutan-1-amine?
The InChIKey is AFNWNUIBLLCELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h5,10H,1,6-9H2,2-4H3.
What are the key properties of N-but-3-enyl-N,3-dimethylbutan-1-amine?
N-but-3-enyl-N,3-dimethylbutan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 123178375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).