N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine

C14H28N2 — CID 61223586

IUPACN-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCC1CCCCC1
InChIInChI=1S/C14H28N2/c1-13(12-16-9-5-6-10-16)15-11-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3
InChIKeyZTUVPXBAAOKBII-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61223586) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61223586
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCC1CCCCC1
InChIInChI=1S/C14H28N2/c1-13(12-16-9-5-6-10-16)15-11-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3
InChIKeyZTUVPXBAAOKBII-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 56701957
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107001489
1-morpholin-4-yl-N-(oxan-3-ylmethyl)propan-2-amine
CID 55242797
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529275
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 113408574
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
CID 115255377
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 61223586) is N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is ZTUVPXBAAOKBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(12-16-9-5-6-10-16)15-11-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61223586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).