N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C18H35N3 — CID 61241963

IUPACN-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCCN1CCC(NC2C3CCCC2CN(C(C)C)C3)CC1
InChIInChI=1S/C18H35N3/c1-4-20-10-8-17(9-11-20)19-18-15-6-5-7-16(18)13-21(12-15)14(2)3/h14-19H,4-13H2,1-3H3
InChIKeyVDYHQKRJXKBLDH-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.57
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 61241963) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID61241963
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCCN1CCC(NC2C3CCCC2CN(C(C)C)C3)CC1
InChIInChI=1S/C18H35N3/c1-4-20-10-8-17(9-11-20)19-18-15-6-5-7-16(18)13-21(12-15)14(2)3/h14-19H,4-13H2,1-3H3
InChIKeyVDYHQKRJXKBLDH-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 28716489
N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64740285
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
CID 106252950
N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63924083
1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one
CID 64656507
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
CID 177246140
2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 58914458
N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81394236
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106024089
N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64600843
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 80716268

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 61241963) is N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CCN1CCC(NC2C3CCCC2CN(C(C)C)C3)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is VDYHQKRJXKBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-20-10-8-17(9-11-20)19-18-15-6-5-7-16(18)13-21(12-15)14(2)3/h14-19H,4-13H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 293.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 61241963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).