2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine

C17H36N2 — CID 63493052

IUPAC2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCCN(CC1CCCC1NCCC)C(C)CC
InChIInChI=1S/C17H36N2/c1-5-8-13-19(15(4)7-3)14-16-10-9-11-17(16)18-12-6-2/h15-18H,5-14H2,1-4H3
InChIKeyRSISJLFYWGUBNL-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds10

About 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine

2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 63493052) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
PubChem CID63493052
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCCN(CC1CCCC1NCCC)C(C)CC
InChIInChI=1S/C17H36N2/c1-5-8-13-19(15(4)7-3)14-16-10-9-11-17(16)18-12-6-2/h15-18H,5-14H2,1-4H3
InChIKeyRSISJLFYWGUBNL-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62611397
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
CID 62611425
2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62616036
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
3-[[2-(ethylamino)cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62610037
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine (CID 63493052) is 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine is CCCCN(CC1CCCC1NCCC)C(C)CC.
What is the InChIKey of 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is RSISJLFYWGUBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-8-13-19(15(4)7-3)14-16-10-9-11-17(16)18-12-6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine?
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 63493052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).