N-methyl-N-(propan-2-ylideneamino)butan-1-amine

C8H18N2 — CID 143073582

IUPACN-methyl-N-(propan-2-ylideneamino)butan-1-amine
SMILESCCCCN(C)N=C(C)C
InChIInChI=1S/C8H18N2/c1-5-6-7-10(4)9-8(2)3/h5-7H2,1-4H3
InChIKeyAEUQSFKXJQRSBG-UHFFFAOYSA-N
MW142.25 g/mol
LogP2.11
Rot. Bonds4

About N-methyl-N-(propan-2-ylideneamino)butan-1-amine

N-methyl-N-(propan-2-ylideneamino)butan-1-amine (PubChem CID 143073582) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-N-(propan-2-ylideneamino)butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(propan-2-ylideneamino)butan-1-amine
PubChem CID143073582
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-N-(propan-2-ylideneamino)butan-1-amine
SMILESCCCCN(C)N=C(C)C
InChIInChI=1S/C8H18N2/c1-5-6-7-10(4)9-8(2)3/h5-7H2,1-4H3
InChIKeyAEUQSFKXJQRSBG-UHFFFAOYSA-N
XLogP2.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-bromobutyl(methyl)amino]-N-(propan-2-ylideneamino)butan-1-amine
CID 146474508
N,N-dibutyl-N'-methylethanimidamide
CID 13042442
N-butyl-N-methylacetamide;ethane
CID 142088805
N-butyl-N-methylcarbamate
CID 23071400
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
butan-1-ol;N,N-dimethylmethanamine
CID 87409376
N-butyl-N-methylhydroxylamine;tetradecan-1-amine
CID 175891221
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
1-[butyl(methyl)amino]propan-2-one
CID 43219631
4-[[butyl(methyl)amino]diazenyl]benzoic acid
CID 23274523
1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
CID 90395287

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(propan-2-ylideneamino)butan-1-amine?
The IUPAC name of N-methyl-N-(propan-2-ylideneamino)butan-1-amine (CID 143073582) is N-methyl-N-(propan-2-ylideneamino)butan-1-amine.
What is the SMILES notation for N-methyl-N-(propan-2-ylideneamino)butan-1-amine?
The canonical SMILES for N-methyl-N-(propan-2-ylideneamino)butan-1-amine is CCCCN(C)N=C(C)C.
What is the InChIKey of N-methyl-N-(propan-2-ylideneamino)butan-1-amine?
The InChIKey is AEUQSFKXJQRSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6-7-10(4)9-8(2)3/h5-7H2,1-4H3.
What are the key properties of N-methyl-N-(propan-2-ylideneamino)butan-1-amine?
N-methyl-N-(propan-2-ylideneamino)butan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(propan-2-ylideneamino)butan-1-amine is sourced from PubChem (CID 143073582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).