N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine

C21H37N — CID 167302876

IUPACN-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine
SMILESC=C(CC(C)C)C1=C(CN(CCC)CCC)CCC2(CC2)C1
InChIInChI=1S/C21H37N/c1-6-12-22(13-7-2)16-19-8-9-21(10-11-21)15-20(19)18(5)14-17(3)4/h17H,5-16H2,1-4H3
InChIKeyJKPDWEZJXXTHPX-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.97
Rot. Bonds9

About N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine

N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine (PubChem CID 167302876) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine
PubChem CID167302876
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine
SMILESC=C(CC(C)C)C1=C(CN(CCC)CCC)CCC2(CC2)C1
InChIInChI=1S/C21H37N/c1-6-12-22(13-7-2)16-19-8-9-21(10-11-21)15-20(19)18(5)14-17(3)4/h17H,5-16H2,1-4H3
InChIKeyJKPDWEZJXXTHPX-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine with MolForge

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Related Compounds

1-[(E,2E)-4-cyclopropyl-7-fluoro-7-methyl-2-[(E)-pent-3-en-2-ylidene]dec-3-enyl]-3-ethyl-3-(2-methylprop-2-enyl)azetidine
CID 129143138
3-Fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine
CID 134377565
5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine
CID 166724511
n,n-Dimethyl-1-(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233422
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
N,N,N-Trimethyl(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183938
N,N,N-Trimethyl(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183940
3-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)propyl-triethylazanium
CID 18341880
6-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)hexyl-triethylazanium
CID 18341883
3-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-1-methyl-2H-pyridine
CID 54493781
N-prop-2-enyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]prop-2-en-1-amine
CID 67826628
heptyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]azanium iodide
CID 68132063

Frequently Asked Questions

What is the IUPAC name of N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine (CID 167302876) is N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine is C=C(CC(C)C)C1=C(CN(CCC)CCC)CCC2(CC2)C1.
What is the InChIKey of N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is JKPDWEZJXXTHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-6-12-22(13-7-2)16-19-8-9-21(10-11-21)15-20(19)18(5)14-17(3)4/h17H,5-16H2,1-4H3.
What are the key properties of N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine?
N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 303.53 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 167302876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).