N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine

C14H28N2 — CID 79184231

IUPACN-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
SMILESCC1CN(CCCCCNC2CC2)CC1C
InChIInChI=1S/C14H28N2/c1-12-10-16(11-13(12)2)9-5-3-4-8-15-14-6-7-14/h12-15H,3-11H2,1-2H3
InChIKeyYZKSDWAGALZIDG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds7

About N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine

N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine (PubChem CID 79184231) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
PubChem CID79184231
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
SMILESCC1CN(CCCCCNC2CC2)CC1C
InChIInChI=1S/C14H28N2/c1-12-10-16(11-13(12)2)9-5-3-4-8-15-14-6-7-14/h12-15H,3-11H2,1-2H3
InChIKeyYZKSDWAGALZIDG-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 104960941
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
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N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
N,N'-dicyclopropyloctane-1,8-diamine
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CID 62424326
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
CID 83221067
N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
CID 62972668

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine (CID 79184231) is N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine is CC1CN(CCCCCNC2CC2)CC1C.
What is the InChIKey of N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is YZKSDWAGALZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-10-16(11-13(12)2)9-5-3-4-8-15-14-6-7-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 79184231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).