N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine

C13H26N2 — CID 79183577

IUPACN-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
SMILESCC1CN(C(C)CCNC2CC2)CC1C
InChIInChI=1S/C13H26N2/c1-10-8-15(9-11(10)2)12(3)6-7-14-13-4-5-13/h10-14H,4-9H2,1-3H3
InChIKeyVDSQFACLIWALQO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds5

About N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine

N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine (PubChem CID 79183577) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
PubChem CID79183577
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
SMILESCC1CN(C(C)CCNC2CC2)CC1C
InChIInChI=1S/C13H26N2/c1-10-8-15(9-11(10)2)12(3)6-7-14-13-4-5-13/h10-14H,4-9H2,1-3H3
InChIKeyVDSQFACLIWALQO-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine
CID 55215454
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
CID 55249022
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
CID 79184334
N-[4-(3-azaspiro[5.5]undecan-3-yl)pentyl]cyclopropanamine
CID 62930303
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
CID 114490726
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine (CID 79183577) is N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine is CC1CN(C(C)CCNC2CC2)CC1C.
What is the InChIKey of N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine?
The InChIKey is VDSQFACLIWALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-8-15(9-11(10)2)12(3)6-7-14-13-4-5-13/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine?
N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 79183577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).