3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine

C9H19N — CID 58530871

IUPAC3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)NCCC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2)10-7-6-9(3,4)5/h10H,1,6-7H2,2-5H3
InChIKeyAHQIPGYMLDQDLH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.55
Rot. Bonds3

About 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine

3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 58530871) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID58530871
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)NCCC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(2)10-7-6-9(3,4)5/h10H,1,6-7H2,2-5H3
InChIKeyAHQIPGYMLDQDLH-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-but-2-en-2-yl]butan-1-amine
CID 134894556
3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
CID 58530456
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
CID 163590280
N-butyl-3-methylpent-1-en-2-amine
CID 18717521
N-but-1-en-2-ylbutan-1-amine
CID 55300658
2-methanidylprop-1-ene;N-prop-1-en-2-ylpropan-1-amine;yttrium
CID 57973998
N-butyl-3,3-dimethylpent-1-en-2-amine
CID 59096553
4-methyl-N-prop-1-en-2-ylpentan-1-amine
CID 59663941
3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine
CID 59751871
N,4,4-trimethylpent-1-en-2-amine
CID 59850104
3-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 85575634

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine (CID 58530871) is 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)NCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is AHQIPGYMLDQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)10-7-6-9(3,4)5/h10H,1,6-7H2,2-5H3.
What are the key properties of 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine?
3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 58530871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).