N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine

C14H28N2 — CID 90735553

IUPACN-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine
SMILESCCCCN(C)C(=CCCC(C)C)/C=N/C
InChIInChI=1S/C14H28N2/c1-6-7-11-16(5)14(12-15-4)10-8-9-13(2)3/h10,12-13H,6-9,11H2,1-5H3/b14-10?,15-12+
InChIKeyPVBBIBUKEIYWLC-ZTYJJYJNSA-N
MW224.39 g/mol
LogP3.74
Rot. Bonds8

About N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine

N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine (PubChem CID 90735553) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine
PubChem CID90735553
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine
SMILESCCCCN(C)C(=CCCC(C)C)/C=N/C
InChIInChI=1S/C14H28N2/c1-6-7-11-16(5)14(12-15-4)10-8-9-13(2)3/h10,12-13H,6-9,11H2,1-5H3/b14-10?,15-12+
InChIKeyPVBBIBUKEIYWLC-ZTYJJYJNSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,4,6-tetramethyl-N-(2-methyliminoethyl)hepta-2,6-dien-3-amine
CID 123380851
N,N-dimethyl-2-(1,3,7-trimethyl-4,5-dihydro-3H-azepin-1-ium-4-yl)ethanamine
CID 123383668
2-Methyl-7-propan-2-yl-1,3,4,5-tetrahydropyrido[3,4-c]azepine
CID 124009778
N-methyl-1-(5-methyl-1-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-yl)methanimine
CID 134424576
(Z)-N,N,4-trimethyl-1-methyliminopent-2-en-3-amine
CID 139439539
N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-4-amine;propane
CID 144106079
N,N-dimethyl-2-propan-2-yl-2,3-dihydropyridin-4-amine
CID 146657820
N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-4-amine
CID 144106080

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine?
The IUPAC name of N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine (CID 90735553) is N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine.
What is the SMILES notation for N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine?
The canonical SMILES for N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine is CCCCN(C)C(=CCCC(C)C)/C=N/C.
What is the InChIKey of N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine?
The InChIKey is PVBBIBUKEIYWLC-ZTYJJYJNSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-11-16(5)14(12-15-4)10-8-9-13(2)3/h10,12-13H,6-9,11H2,1-5H3/b14-10?,15-12+.
What are the key properties of N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine?
N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-1-methyliminohept-2-en-2-amine is sourced from PubChem (CID 90735553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).