N-pentyl-1-pyrrolidin-1-ylmethanimine

C10H20N2 — CID 523932

IUPACN-pentyl-1-pyrrolidin-1-ylmethanimine
SMILESCCCCC/N=C/N1CCCC1
InChIInChI=1S/C10H20N2/c1-2-3-4-7-11-10-12-8-5-6-9-12/h10H,2-9H2,1H3/b11-10+
InChIKeyHNZMWOTZDNSIRG-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds5

About N-pentyl-1-pyrrolidin-1-ylmethanimine

N-pentyl-1-pyrrolidin-1-ylmethanimine (PubChem CID 523932) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-pentyl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-pentyl-1-pyrrolidin-1-ylmethanimine
PubChem CID523932
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-pentyl-1-pyrrolidin-1-ylmethanimine
SMILESCCCCC/N=C/N1CCCC1
InChIInChI=1S/C10H20N2/c1-2-3-4-7-11-10-12-8-5-6-9-12/h10H,2-9H2,1H3/b11-10+
InChIKeyHNZMWOTZDNSIRG-ZHACJKMWSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-pentyl-1-pyrrolidin-1-ylmethanimine (CID 523932) is N-pentyl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-pentyl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-pentyl-1-pyrrolidin-1-ylmethanimine is CCCCC/N=C/N1CCCC1.
What is the InChIKey of N-pentyl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is HNZMWOTZDNSIRG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-4-7-11-10-12-8-5-6-9-12/h10H,2-9H2,1H3/b11-10+.
What are the key properties of N-pentyl-1-pyrrolidin-1-ylmethanimine?
N-pentyl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 168.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 523932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).