2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine

C16H32N2 — CID 142102799

IUPAC2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine
SMILESCC/C=C\C(CN(C)CC(CC)CCCC)=N/C
InChIInChI=1S/C16H32N2/c1-6-9-11-15(8-3)13-18(5)14-16(17-4)12-10-7-2/h10,12,15H,6-9,11,13-14H2,1-5H3/b12-10-,17-16+
InChIKeyVLFBGJZAJKPCFV-OLRLHGROSA-N
MW252.45 g/mol
LogP4.17
Rot. Bonds10

About 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine

2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine (PubChem CID 142102799) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine
PubChem CID142102799
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine
SMILESCC/C=C\C(CN(C)CC(CC)CCCC)=N/C
InChIInChI=1S/C16H32N2/c1-6-9-11-15(8-3)13-18(5)14-16(17-4)12-10-7-2/h10,12,15H,6-9,11,13-14H2,1-5H3/b12-10-,17-16+
InChIKeyVLFBGJZAJKPCFV-OLRLHGROSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.17
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

1-N,4-N-bis(5-methylheptan-3-yl)cyclohexa-2,5-diene-1,4-diimine
CID 18172613
Hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium
CID 123288679
2-ethyl-3-(4-iminocyclohepta-2,5-dien-1-yl)-N,N-dimethylpentan-1-amine
CID 123594107
N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
CID 123858189
N,4-dimethyl-N-[(Z)-2-[(Z)-prop-1-enyl]iminopent-3-enyl]cyclohexan-1-amine
CID 129034333
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654738
ethane;N-[(Z)-3-ethenyliminohex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654877
ethane;1-ethylpiperidine;(Z)-N-methyl-2-methylimino-N-(2-methylpropyl)hex-3-en-1-amine
CID 145341988
4-[4-but-1-en-2-yl-7-methylidene-3-(C-methyl-N-prop-2-enylcarbonimidoyl)cyclohepta-2,4-dien-1-yl]-N-propan-2-yl-N-propylpent-4-en-1-amine
CID 167265660
N,2-dimethyl-10-(4-propylpiperidin-1-yl)dec-2-en-4-imine
CID 168196730
(Z)-N-methyl-3-methylimino-N-(3-methylpentyl)hex-4-en-1-amine
CID 144600522

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine (CID 142102799) is 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine is CC/C=C\C(CN(C)CC(CC)CCCC)=N/C.
What is the InChIKey of 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine?
The InChIKey is VLFBGJZAJKPCFV-OLRLHGROSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-9-11-15(8-3)13-18(5)14-16(17-4)12-10-7-2/h10,12,15H,6-9,11,13-14H2,1-5H3/b12-10-,17-16+.
What are the key properties of 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine?
2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine is sourced from PubChem (CID 142102799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).