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

C12H24N2 — CID 171756110

IUPACN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCC2)CC1
InChIInChI=1S/C12H24N2/c1-11(2)13-9-12(5-6-12)10-14-7-3-4-8-14/h11,13H,3-10H2,1-2H3
InChIKeyRTRMAMBSFAFVRB-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds5

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

N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 171756110) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID171756110
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCC2)CC1
InChIInChI=1S/C12H24N2/c1-11(2)13-9-12(5-6-12)10-14-7-3-4-8-14/h11,13H,3-10H2,1-2H3
InChIKeyRTRMAMBSFAFVRB-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine (CID 171756110) is N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(CN2CCCC2)CC1.
What is the InChIKey of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is RTRMAMBSFAFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)13-9-12(5-6-12)10-14-7-3-4-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 171756110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).