(1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine

C9H18N2 — CID 178053040

IUPAC(1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine
SMILESC=C/C=N\[C@H](N)C(C)(C)CC
InChIInChI=1S/C9H18N2/c1-5-7-11-8(10)9(3,4)6-2/h5,7-8H,1,6,10H2,2-4H3/b11-7-/t8-/m0/s1
InChIKeyBPMKZEOUQZQWIC-CLUBXZQOSA-N
MW154.26 g/mol
LogP1.96
Rot. Bonds4

About (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine

(1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine (PubChem CID 178053040) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine
PubChem CID178053040
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine
SMILESC=C/C=N\[C@H](N)C(C)(C)CC
InChIInChI=1S/C9H18N2/c1-5-7-11-8(10)9(3,4)6-2/h5,7-8H,1,6,10H2,2-4H3/b11-7-/t8-/m0/s1
InChIKeyBPMKZEOUQZQWIC-CLUBXZQOSA-N
XLogP1.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,3,3-trimethyloct-7-en-4-amine
CID 104987331
2,5,5-trimethylheptan-4-amine
CID 115782662
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
3,3-dimethylnon-8-en-4-ylhydrazine
CID 105311424
3,5,6,6-tetramethyloct-1-ene
CID 123650579
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
3,3-dimethylhex-5-en-2-amine
CID 130019272
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872
5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane
CID 123951483
2-(2-methylbutan-2-yl)pent-4-enal
CID 87485643
N-ethenyl-2,3,3-trimethylpentan-1-amine
CID 144685740

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine (CID 178053040) is (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine is C=C/C=N\[C@H](N)C(C)(C)CC.
What is the InChIKey of (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine?
The InChIKey is BPMKZEOUQZQWIC-CLUBXZQOSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-11-8(10)9(3,4)6-2/h5,7-8H,1,6,10H2,2-4H3/b11-7-/t8-/m0/s1.
What are the key properties of (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine?
(1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-[(Z)-prop-2-enylideneamino]butan-1-amine is sourced from PubChem (CID 178053040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).