N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine

C14H28N2 — CID 63218242

IUPACN-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
SMILESCC1(C)CCCN1CCCCCNC1CC1
InChIInChI=1S/C14H28N2/c1-14(2)9-6-12-16(14)11-5-3-4-10-15-13-7-8-13/h13,15H,3-12H2,1-2H3
InChIKeyDSPQANHCXUUXGS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds7

About N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine

N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine (PubChem CID 63218242) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
PubChem CID63218242
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
SMILESCC1(C)CCCN1CCCCCNC1CC1
InChIInChI=1S/C14H28N2/c1-14(2)9-6-12-16(14)11-5-3-4-10-15-13-7-8-13/h13,15H,3-12H2,1-2H3
InChIKeyDSPQANHCXUUXGS-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine (CID 63218242) is N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine is CC1(C)CCCN1CCCCCNC1CC1.
What is the InChIKey of N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is DSPQANHCXUUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2)9-6-12-16(14)11-5-3-4-10-15-13-7-8-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine?
N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 63218242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).