N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine

C15H28N2 — CID 102894360

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine
SMILESCCCCN(CC1NCC2CCCC21)C1CC1
InChIInChI=1S/C15H28N2/c1-2-3-9-17(13-7-8-13)11-15-14-6-4-5-12(14)10-16-15/h12-16H,2-11H2,1H3
InChIKeyINQOAWQBOJWXLE-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds6

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine (PubChem CID 102894360) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine
PubChem CID102894360
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine
SMILESCCCCN(CC1NCC2CCCC21)C1CC1
InChIInChI=1S/C15H28N2/c1-2-3-9-17(13-7-8-13)11-15-14-6-4-5-12(14)10-16-15/h12-16H,2-11H2,1H3
InChIKeyINQOAWQBOJWXLE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine with MolForge

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Related Compounds

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
CID 102894266
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 102894656
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-ethylprop-2-yn-1-amine
CID 102894689
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine
CID 102894643
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
CID 63045600
N-butyl-N-propylcyclohexanamine
CID 15751893
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 61441728
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 102894568

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine (CID 102894360) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine is CCCCN(CC1NCC2CCCC21)C1CC1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine?
The InChIKey is INQOAWQBOJWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-9-17(13-7-8-13)11-15-14-6-4-5-12(14)10-16-15/h12-16H,2-11H2,1H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine has a molecular weight of 236.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine is sourced from PubChem (CID 102894360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).