4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

C16H23N3O2 — CID 79512015

IUPAC4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H23N3O2/c17-8-2-9-19(12-15-3-1-10-21-15)16(20)14-6-4-13(11-18)5-7-14/h1,3,10,13-14H,2,4-7,9,11-12,18H2
InChIKeyKQJJTFYUBAHACL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.29
Rot. Bonds6

About 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 79512015) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID79512015
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H23N3O2/c17-8-2-9-19(12-15-3-1-10-21-15)16(20)14-6-4-13(11-18)5-7-14/h1,3,10,13-14H,2,4-7,9,11-12,18H2
InChIKeyKQJJTFYUBAHACL-UHFFFAOYSA-N
XLogP2.29
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823217
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
CID 66236653
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51103022
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-methylpiperidine-2-carboxamide
CID 107067806
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94409683
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 60519887

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (CID 79512015) is 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is N#CCCN(Cc1ccco1)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is KQJJTFYUBAHACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-8-2-9-19(12-15-3-1-10-21-15)16(20)14-6-4-13(11-18)5-7-14/h1,3,10,13-14H,2,4-7,9,11-12,18H2.
What are the key properties of 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79512015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).