ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine

C19H39N — CID 169214887

IUPACethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine
SMILESCC.CCCC1CC2(CCC(N(C)CC(C)C)CC2)C1
InChIInChI=1S/C17H33N.C2H6/c1-5-6-15-11-17(12-15)9-7-16(8-10-17)18(4)13-14(2)3;1-2/h14-16H,5-13H2,1-4H3;1-2H3
InChIKeyFVAUOACTYJAFPF-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.74
Rot. Bonds5

About ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine

ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine (PubChem CID 169214887) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine
PubChem CID169214887
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Nameethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine
SMILESCC.CCCC1CC2(CCC(N(C)CC(C)C)CC2)C1
InChIInChI=1S/C17H33N.C2H6/c1-5-6-15-11-17(12-15)9-7-16(8-10-17)18(4)13-14(2)3;1-2/h14-16H,5-13H2,1-4H3;1-2H3
InChIKeyFVAUOACTYJAFPF-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
CID 156794646
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen
CID 156794556
[1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentyl]methanol
CID 79656684
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane
CID 19387617
N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120008

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine?
The IUPAC name of ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine (CID 169214887) is ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine.
What is the SMILES notation for ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine?
The canonical SMILES for ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine is CC.CCCC1CC2(CCC(N(C)CC(C)C)CC2)C1.
What is the InChIKey of ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine?
The InChIKey is FVAUOACTYJAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N.C2H6/c1-5-6-15-11-17(12-15)9-7-16(8-10-17)18(4)13-14(2)3;1-2/h14-16H,5-13H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine?
ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine has a molecular weight of 281.53 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine is sourced from PubChem (CID 169214887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).