N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

C15H28N2 — CID 114095644

IUPACN-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2(C3CC3)CC2)C1
InChIInChI=1S/C15H28N2/c1-12(2)16-9-13-5-8-17(10-13)11-15(6-7-15)14-3-4-14/h12-14,16H,3-11H2,1-2H3
InChIKeyIYRKPMUYCWWKPG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.50
Rot. Bonds6

About N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 114095644) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID114095644
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2(C3CC3)CC2)C1
InChIInChI=1S/C15H28N2/c1-12(2)16-9-13-5-8-17(10-13)11-15(6-7-15)14-3-4-14/h12-14,16H,3-11H2,1-2H3
InChIKeyIYRKPMUYCWWKPG-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62975746
N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63827714

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 114095644) is N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CC2(C3CC3)CC2)C1.
What is the InChIKey of N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is IYRKPMUYCWWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12(2)16-9-13-5-8-17(10-13)11-15(6-7-15)14-3-4-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 236.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114095644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).