N-butyl-N-(2-methylprop-1-enyl)butan-1-amine

C12H25N — CID 19750965

IUPACN-butyl-N-(2-methylprop-1-enyl)butan-1-amine
SMILESCCCCN(C=C(C)C)CCCC
InChIInChI=1S/C12H25N/c1-5-7-9-13(10-8-6-2)11-12(3)4/h11H,5-10H2,1-4H3
InChIKeyKKGSBWUFOPDBGS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.81
Rot. Bonds7

About N-butyl-N-(2-methylprop-1-enyl)butan-1-amine

N-butyl-N-(2-methylprop-1-enyl)butan-1-amine (PubChem CID 19750965) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-butyl-N-(2-methylprop-1-enyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(2-methylprop-1-enyl)butan-1-amine
PubChem CID19750965
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-butyl-N-(2-methylprop-1-enyl)butan-1-amine
SMILESCCCCN(C=C(C)C)CCCC
InChIInChI=1S/C12H25N/c1-5-7-9-13(10-8-6-2)11-12(3)4/h11H,5-10H2,1-4H3
InChIKeyKKGSBWUFOPDBGS-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Piperidino-1-isobutene
CID 136477
Tris(2-methylallyl)amine
CID 80605
Pyrrolidine, 1-(2-methyl-1-propenyl)-
CID 137584
N,2-dimethyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine
CID 352960
Agn-PC-036ekc
CID 580168
N,N-diisopropyl-2-methyl-1-propen-1-amine
CID 4278481
N,N-Diethyl-2-methylprop-1-en-1-amine
CID 12693439
2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine
CID 13416721
N,N-Diethyl-2-methylprop-2-en-1-amine
CID 13112059
3-methyl-N,N-dipropylbut-3-en-1-amine
CID 15257994
N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine
CID 12779717
2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropan-1-amine
CID 15063975

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-methylprop-1-enyl)butan-1-amine?
The IUPAC name of N-butyl-N-(2-methylprop-1-enyl)butan-1-amine (CID 19750965) is N-butyl-N-(2-methylprop-1-enyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(2-methylprop-1-enyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(2-methylprop-1-enyl)butan-1-amine is CCCCN(C=C(C)C)CCCC.
What is the InChIKey of N-butyl-N-(2-methylprop-1-enyl)butan-1-amine?
The InChIKey is KKGSBWUFOPDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-9-13(10-8-6-2)11-12(3)4/h11H,5-10H2,1-4H3.
What are the key properties of N-butyl-N-(2-methylprop-1-enyl)butan-1-amine?
N-butyl-N-(2-methylprop-1-enyl)butan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-methylprop-1-enyl)butan-1-amine is sourced from PubChem (CID 19750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).