N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine

C15H28N2 — CID 106598991

IUPACN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
SMILESC1CCCC(N(CC2CCCN2)C2CC2)CC1
InChIInChI=1S/C15H28N2/c1-2-4-8-14(7-3-1)17(15-9-10-15)12-13-6-5-11-16-13/h13-16H,1-12H2
InChIKeyHJBYUEAYEVYCPP-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.93
Rot. Bonds4

About N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine (PubChem CID 106598991) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
PubChem CID106598991
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
SMILESC1CCCC(N(CC2CCCN2)C2CC2)CC1
InChIInChI=1S/C15H28N2/c1-2-4-8-14(7-3-1)17(15-9-10-15)12-13-6-5-11-16-13/h13-16H,1-12H2
InChIKeyHJBYUEAYEVYCPP-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106599133
N-cyclopropyl-1-ethyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106621721
N-cyclopropyl-3-methoxy-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 106631554
N-cyclopropyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429472
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 106599659
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 106621790
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 106621804
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine?
The IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine (CID 106598991) is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine?
The canonical SMILES for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine is C1CCCC(N(CC2CCCN2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine?
The InChIKey is HJBYUEAYEVYCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-4-8-14(7-3-1)17(15-9-10-15)12-13-6-5-11-16-13/h13-16H,1-12H2.
What are the key properties of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine?
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine has a molecular weight of 236.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine is sourced from PubChem (CID 106598991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).