(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine

C17H26N2 — CID 153398362

IUPAC(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine
SMILESC/C=C/C1=C(/C=C\CNC)C=NC(C)(C(C)C)C=C1
InChIInChI=1S/C17H26N2/c1-6-8-15-10-11-17(4,14(2)3)19-13-16(15)9-7-12-18-5/h6-11,13-14,18H,12H2,1-5H3/b8-6+,9-7-
InChIKeyAHUKQURMTYASSE-FFELTBSMSA-N
MW258.41 g/mol
LogP3.69
Rot. Bonds5

About (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine

(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine (PubChem CID 153398362) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine
PubChem CID153398362
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine
SMILESC/C=C/C1=C(/C=C\CNC)C=NC(C)(C(C)C)C=C1
InChIInChI=1S/C17H26N2/c1-6-8-15-10-11-17(4,14(2)3)19-13-16(15)9-7-12-18-5/h6-11,13-14,18H,12H2,1-5H3/b8-6+,9-7-
InChIKeyAHUKQURMTYASSE-FFELTBSMSA-N
XLogP3.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethyl-2-propan-2-ylazepine
CID 91334591
N-ethenyl-3-methyl-5-propan-2-ylazepin-3-amine
CID 135136374
3-Methyl-6-propan-2-ylazepin-3-amine
CID 144874686
(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
CID 145149108
1-N-[[4-(butyliminomethyl)cyclohexa-2,4-dien-1-yl]methyl]-3-methylbutane-1,3-diamine
CID 145463012
(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
CID 146359455
(7-Methyl-7-propan-2-ylazepin-4-yl)methanamine;rutherfordium
CID 153553462
(3E,5Z)-N-but-3-en-2-yl-3-ethenyl-2-(2-methyl-3-methyliminoprop-1-enyl)hepta-1,3,5-trien-1-amine
CID 173752795
(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine
CID 174089843
6-[(E)-2-methyl-3-methyliminoprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 141809231
(3E,5Z)-N,2,3,6-tetramethyl-1-methyliminoocta-3,5,7-trien-2-amine
CID 143710802
(7-Methyl-7-propan-2-ylazepin-4-yl)methanamine
CID 153553463

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine (CID 153398362) is (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine is C/C=C/C1=C(/C=C\CNC)C=NC(C)(C(C)C)C=C1.
What is the InChIKey of (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine?
The InChIKey is AHUKQURMTYASSE-FFELTBSMSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-8-15-10-11-17(4,14(2)3)19-13-16(15)9-7-12-18-5/h6-11,13-14,18H,12H2,1-5H3/b8-6+,9-7-.
What are the key properties of (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine?
(Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-[7-methyl-7-propan-2-yl-4-[(E)-prop-1-enyl]azepin-3-yl]prop-2-en-1-amine is sourced from PubChem (CID 153398362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).