2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine

C11H22N2 — CID 123628627

IUPAC2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
SMILES[H]/N=C(/CN(C)C(=C)C(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10(5)13(6)7-11(12)9(3)4/h8-9,12H,5,7H2,1-4,6H3/b12-11-
InChIKeyMHJUEZBMLPNRDS-QXMHVHEDSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds5

About 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine

2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine (PubChem CID 123628627) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
PubChem CID123628627
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
SMILES[H]/N=C(/CN(C)C(=C)C(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10(5)13(6)7-11(12)9(3)4/h8-9,12H,5,7H2,1-4,6H3/b12-11-
InChIKeyMHJUEZBMLPNRDS-QXMHVHEDSA-N
XLogP2.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
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-iminobutan-2-yl)-N,4-dimethylhex-1-en-2-amine
CID 90999128
4-imino-N,N,3-trimethylpent-1-en-2-amine
CID 129043603
6-Ethyl-3-propan-2-yl-1,2-dihydropyrazine
CID 155469412
N,3-dimethyl-N-(2-methyliminopropyl)but-1-en-2-amine
CID 156039112

Frequently Asked Questions

What is the IUPAC name of 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
The IUPAC name of 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine (CID 123628627) is 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine.
What is the SMILES notation for 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
The canonical SMILES for 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine is [H]/N=C(/CN(C)C(=C)C(C)C)C(C)C.
What is the InChIKey of 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
The InChIKey is MHJUEZBMLPNRDS-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)10(5)13(6)7-11(12)9(3)4/h8-9,12H,5,7H2,1-4,6H3/b12-11-.
What are the key properties of 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine is sourced from PubChem (CID 123628627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).