N-[5-(azocan-1-yl)pentyl]cyclopropanamine

C15H30N2 — CID 55070436

IUPACN-[5-(azocan-1-yl)pentyl]cyclopropanamine
SMILESC1CCCN(CCCCCNC2CC2)CCC1
InChIInChI=1S/C15H30N2/c1-2-6-12-17(13-7-3-1)14-8-4-5-11-16-15-9-10-15/h15-16H,1-14H2
InChIKeyXHIQTTKVQYIRGO-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds7

About N-[5-(azocan-1-yl)pentyl]cyclopropanamine

N-[5-(azocan-1-yl)pentyl]cyclopropanamine (PubChem CID 55070436) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[5-(azocan-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(azocan-1-yl)pentyl]cyclopropanamine
PubChem CID55070436
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[5-(azocan-1-yl)pentyl]cyclopropanamine
SMILESC1CCCN(CCCCCNC2CC2)CCC1
InChIInChI=1S/C15H30N2/c1-2-6-12-17(13-7-3-1)14-8-4-5-11-16-15-9-10-15/h15-16H,1-14H2
InChIKeyXHIQTTKVQYIRGO-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
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

N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
CID 62972668
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
CID 118140402
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-(3-piperidin-1-ylpropyl)spiro[4.5]decan-8-amine
CID 114817155
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231

Frequently Asked Questions

What is the IUPAC name of N-[5-(azocan-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(azocan-1-yl)pentyl]cyclopropanamine (CID 55070436) is N-[5-(azocan-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(azocan-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(azocan-1-yl)pentyl]cyclopropanamine is C1CCCN(CCCCCNC2CC2)CCC1.
What is the InChIKey of N-[5-(azocan-1-yl)pentyl]cyclopropanamine?
The InChIKey is XHIQTTKVQYIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-6-12-17(13-7-3-1)14-8-4-5-11-16-15-9-10-15/h15-16H,1-14H2.
What are the key properties of N-[5-(azocan-1-yl)pentyl]cyclopropanamine?
N-[5-(azocan-1-yl)pentyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azocan-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 55070436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).