(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine

C14H24N2 — CID 70560929

IUPAC(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(CC)N[C@@]1(C(C)N(C)C)C=CC=CC1
InChIInChI=1S/C14H24N2/c1-6-12(2)15-14(13(3)16(4)5)10-8-7-9-11-14/h7-10,13,15H,2,6,11H2,1,3-5H3/t13?,14-/m0/s1
InChIKeyMMVQHNZYMLBSGJ-KZUDCZAMSA-N
MW220.36 g/mol
LogP2.70
Rot. Bonds5

About (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine

(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine (PubChem CID 70560929) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
PubChem CID70560929
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(CC)N[C@@]1(C(C)N(C)C)C=CC=CC1
InChIInChI=1S/C14H24N2/c1-6-12(2)15-14(13(3)16(4)5)10-8-7-9-11-14/h7-10,13,15H,2,6,11H2,1,3-5H3/t13?,14-/m0/s1
InChIKeyMMVQHNZYMLBSGJ-KZUDCZAMSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine (CID 70560929) is (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine is C=C(CC)N[C@@]1(C(C)N(C)C)C=CC=CC1.
What is the InChIKey of (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is MMVQHNZYMLBSGJ-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-12(2)15-14(13(3)16(4)5)10-8-7-9-11-14/h7-10,13,15H,2,6,11H2,1,3-5H3/t13?,14-/m0/s1.
What are the key properties of (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine?
(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70560929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).