N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine

C25H52N4 — CID 18175273

IUPACN,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine
SMILESCN(CCCCNCCCCCCCCCNCCCCN(C)C1CC1)C1CC1
InChIInChI=1S/C25H52N4/c1-28(24-14-15-24)22-12-10-20-26-18-8-6-4-3-5-7-9-19-27-21-11-13-23-29(2)25-16-17-25/h24-27H,3-23H2,1-2H3
InChIKeyBYRAOXZMMCWFIP-UHFFFAOYSA-N
MW408.72 g/mol
LogP4.65
Rot. Bonds22

About N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine

N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine (PubChem CID 18175273) has the molecular formula C25H52N4 and a molecular weight of 408.72 g/mol. Its IUPAC name is N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine.

Molecular Properties

Compound NameN,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine
PubChem CID18175273
Molecular FormulaC25H52N4
Molecular Weight408.72 g/mol
Exact Mass408.42
IUPAC NameN,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine
SMILESCN(CCCCNCCCCCCCCCNCCCCN(C)C1CC1)C1CC1
InChIInChI=1S/C25H52N4/c1-28(24-14-15-24)22-12-10-20-26-18-8-6-4-3-5-7-9-19-27-21-11-13-23-29(2)25-16-17-25/h24-27H,3-23H2,1-2H3
InChIKeyBYRAOXZMMCWFIP-UHFFFAOYSA-N
XLogP4.65
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine?
The IUPAC name of N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine (CID 18175273) is N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine.
What is the SMILES notation for N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine?
The canonical SMILES for N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine is CN(CCCCNCCCCCCCCCNCCCCN(C)C1CC1)C1CC1.
What is the InChIKey of N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine?
The InChIKey is BYRAOXZMMCWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N4/c1-28(24-14-15-24)22-12-10-20-26-18-8-6-4-3-5-7-9-19-27-21-11-13-23-29(2)25-16-17-25/h24-27H,3-23H2,1-2H3.
What are the key properties of N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine?
N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine has a molecular weight of 408.72 g/mol, XLogP of 4.65, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-[cyclopropyl(methyl)amino]butyl]nonane-1,9-diamine is sourced from PubChem (CID 18175273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).