N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C16H29N5 — CID 63332819

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1nncn1C
InChIInChI=1S/C16H29N5/c1-12(2)21-9-13-5-4-6-14(10-21)16(13)17-8-7-15-19-18-11-20(15)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyOEODOFSXUOLCRX-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 63332819) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID63332819
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1nncn1C
InChIInChI=1S/C16H29N5/c1-12(2)21-9-13-5-4-6-14(10-21)16(13)17-8-7-15-19-18-11-20(15)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyOEODOFSXUOLCRX-UHFFFAOYSA-N
XLogP1.46
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 103005129
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106394773
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 79741326
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 63332774
N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329245
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxepan-4-amine
CID 65079206
4,4-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptan-1-amine
CID 65088048
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 63332819) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCCc1nncn1C.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is OEODOFSXUOLCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)21-9-13-5-4-6-14(10-21)16(13)17-8-7-15-19-18-11-20(15)3/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 291.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 63332819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).