N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C17H30N4 — CID 103005129

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1ccnn1C
InChIInChI=1S/C17H30N4/c1-13(2)21-11-14-5-4-6-15(12-21)17(14)18-9-7-16-8-10-19-20(16)3/h8,10,13-15,17-18H,4-7,9,11-12H2,1-3H3
InChIKeyIGZNQDIAKOHICX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 103005129) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID103005129
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1ccnn1C
InChIInChI=1S/C17H30N4/c1-13(2)21-11-14-5-4-6-15(12-21)17(14)18-9-7-16-8-10-19-20(16)3/h8,10,13-15,17-18H,4-7,9,11-12H2,1-3H3
InChIKeyIGZNQDIAKOHICX-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine with MolForge

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240419
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240026
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 103005129) is N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCCc1ccnn1C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is IGZNQDIAKOHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)21-11-14-5-4-6-15(12-21)17(14)18-9-7-16-8-10-19-20(16)3/h8,10,13-15,17-18H,4-7,9,11-12H2,1-3H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 290.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 103005129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).