N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine

C15H28N2 — CID 143498976

IUPACN-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine
SMILESCC(C)NC=C1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H28N2/c1-13(2)16-11-14-5-7-15(8-6-14)12-17-9-3-4-10-17/h11,13,15-16H,3-10,12H2,1-2H3/b14-11-
InChIKeyWQYXYHQBONPAGV-KAMYIIQDSA-N
MW236.40 g/mol
LogP3.15
Rot. Bonds4

About N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine

N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine (PubChem CID 143498976) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine
PubChem CID143498976
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine
SMILESCC(C)NC=C1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H28N2/c1-13(2)16-11-14-5-7-15(8-6-14)12-17-9-3-4-10-17/h11,13,15-16H,3-10,12H2,1-2H3/b14-11-
InChIKeyWQYXYHQBONPAGV-KAMYIIQDSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine?
The IUPAC name of N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine (CID 143498976) is N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine is CC(C)NC=C1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine?
The InChIKey is WQYXYHQBONPAGV-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)16-11-14-5-7-15(8-6-14)12-17-9-3-4-10-17/h11,13,15-16H,3-10,12H2,1-2H3/b14-11-.
What are the key properties of N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine?
N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine has a molecular weight of 236.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidin-1-ylmethyl)cyclohexylidene]methyl]propan-2-amine is sourced from PubChem (CID 143498976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).