N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride

C16H27ClN2O — CID 119404440

IUPACN-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2C3C4CCC(C4)C23)CCCCC1
InChIInChI=1S/C16H26N2O.ClH/c17-16(6-2-1-3-7-16)9-18-15(19)14-12-10-4-5-11(8-10)13(12)14;/h10-14H,1-9,17H2,(H,18,19);1H
InChIKeyYWYGGRFDZZSGQG-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.48
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride (PubChem CID 119404440) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
PubChem CID119404440
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2C3C4CCC(C4)C23)CCCCC1
InChIInChI=1S/C16H26N2O.ClH/c17-16(6-2-1-3-7-16)9-18-15(19)14-12-10-4-5-11(8-10)13(12)14;/h10-14H,1-9,17H2,(H,18,19);1H
InChIKeyYWYGGRFDZZSGQG-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097212
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
(1-aminocyclohexyl)methylurea
CID 61298669
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride
CID 130763031
N-[(2-aminocyclopentyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806310
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830078
N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
CID 130628525
N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119259789

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride (CID 119404440) is N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride is Cl.NC1(CNC(=O)C2C3C4CCC(C4)C23)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
The InChIKey is YWYGGRFDZZSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c17-16(6-2-1-3-7-16)9-18-15(19)14-12-10-4-5-11(8-10)13(12)14;/h10-14H,1-9,17H2,(H,18,19);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119404440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).