1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine

C18H33N — CID 115847377

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
SMILESCCCNC(CC1CCCC1)CC1CC2CCC1C2
InChIInChI=1S/C18H33N/c1-2-9-19-18(12-14-5-3-4-6-14)13-17-11-15-7-8-16(17)10-15/h14-19H,2-13H2,1H3
InChIKeyVSJIJFYZUXXPIP-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine (PubChem CID 115847377) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
PubChem CID115847377
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
SMILESCCCNC(CC1CCCC1)CC1CC2CCC1C2
InChIInChI=1S/C18H33N/c1-2-9-19-18(12-14-5-3-4-6-14)13-17-11-15-7-8-16(17)10-15/h14-19H,2-13H2,1H3
InChIKeyVSJIJFYZUXXPIP-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
[1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105254238
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
CID 105004806
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105167824
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine (CID 115847377) is 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine is CCCNC(CC1CCCC1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine?
The InChIKey is VSJIJFYZUXXPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-9-19-18(12-14-5-3-4-6-14)13-17-11-15-7-8-16(17)10-15/h14-19H,2-13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine is sourced from PubChem (CID 115847377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).