N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine

C10H22N2 — CID 142317449

IUPACN-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine
SMILESC=C(C)CN.C=NCC(C)(C)C
InChIInChI=1S/C6H13N.C4H9N/c1-6(2,3)5-7-4;1-4(2)3-5/h4-5H2,1-3H3;1,3,5H2,2H3
InChIKeyDZSXSQAEDCYRRH-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.25
Rot. Bonds2

About N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine

N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine (PubChem CID 142317449) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine
PubChem CID142317449
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine
SMILESC=C(C)CN.C=NCC(C)(C)C
InChIInChI=1S/C6H13N.C4H9N/c1-6(2,3)5-7-4;1-4(2)3-5/h4-5H2,1-3H3;1,3,5H2,2H3
InChIKeyDZSXSQAEDCYRRH-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(methylideneamino)methyl]butan-1-amine
CID 163789947
2-fluoro-2,3-dimethylbut-3-en-1-amine
CID 112565253
N-(2-methylprop-2-enyl)methanimine;hydrochloride
CID 175317969
2-amino-N-[2-[[2-[[2-[[2-[[2-(2-methylprop-2-enylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 121440614
2-[(methylideneamino)methyl]prop-2-en-1-amine
CID 163742358
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
propane;2,4,4-trimethylpent-1-ene
CID 145388380
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
2-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167219990
2-amino-2-[(methylideneamino)methyl]butan-1-ol
CID 163560716
2,5-dimethylhex-5-en-2-amine
CID 130178475
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine (CID 142317449) is N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine is C=C(C)CN.C=NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine?
The InChIKey is DZSXSQAEDCYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H9N/c1-6(2,3)5-7-4;1-4(2)3-5/h4-5H2,1-3H3;1,3,5H2,2H3.
What are the key properties of N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine?
N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine is sourced from PubChem (CID 142317449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).