3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine

C19H34N2 — CID 70377062

IUPAC3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine
SMILESNC=CCC1CCC(CC2CCC(CC=CN)CC2)CC1
InChIInChI=1S/C19H34N2/c20-13-1-3-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)4-2-14-21/h1-2,13-14,16-19H,3-12,15,20-21H2
InChIKeyBGZPHCIIXNEZCQ-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.71
Rot. Bonds6

About 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine

3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine (PubChem CID 70377062) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine
PubChem CID70377062
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine
SMILESNC=CCC1CCC(CC2CCC(CC=CN)CC2)CC1
InChIInChI=1S/C19H34N2/c20-13-1-3-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)4-2-14-21/h1-2,13-14,16-19H,3-12,15,20-21H2
InChIKeyBGZPHCIIXNEZCQ-UHFFFAOYSA-N
XLogP4.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine with MolForge

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Related Compounds

4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine
CID 144538386
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
3-cyclopropylprop-1-enoxysilane
CID 154066168
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
1-chloro-4-(cyclopropylmethyl)cyclohexane
CID 123424415
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
4-cyclohexylbut-2-en-1-amine;hydrochloride
CID 67913983
2-[(E)-3-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140824914

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine?
The IUPAC name of 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine (CID 70377062) is 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine.
What is the SMILES notation for 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine?
The canonical SMILES for 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine is NC=CCC1CCC(CC2CCC(CC=CN)CC2)CC1.
What is the InChIKey of 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine?
The InChIKey is BGZPHCIIXNEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c20-13-1-3-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)4-2-14-21/h1-2,13-14,16-19H,3-12,15,20-21H2.
What are the key properties of 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine?
3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine has a molecular weight of 290.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-aminoprop-2-enyl)cyclohexyl]methyl]cyclohexyl]prop-1-en-1-amine is sourced from PubChem (CID 70377062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).