N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine

C19H40N4 — CID 18175291

IUPACN'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNCCCNCCCCN(C)C1CC1)C1CC1
InChIInChI=1S/C19H40N4/c1-22(18-8-9-18)16-5-3-12-20-14-7-15-21-13-4-6-17-23(2)19-10-11-19/h18-21H,3-17H2,1-2H3
InChIKeyNGXBQKDUGFRWSX-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.30
Rot. Bonds16

About N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine

N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine (PubChem CID 18175291) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine
PubChem CID18175291
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC NameN'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNCCCNCCCCN(C)C1CC1)C1CC1
InChIInChI=1S/C19H40N4/c1-22(18-8-9-18)16-5-3-12-20-14-7-15-21-13-4-6-17-23(2)19-10-11-19/h18-21H,3-17H2,1-2H3
InChIKeyNGXBQKDUGFRWSX-UHFFFAOYSA-N
XLogP2.30
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.30
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'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine (CID 18175291) is N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine is CN(CCCCNCCCNCCCCN(C)C1CC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine?
The InChIKey is NGXBQKDUGFRWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-22(18-8-9-18)16-5-3-12-20-14-7-15-21-13-4-6-17-23(2)19-10-11-19/h18-21H,3-17H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine?
N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine has a molecular weight of 324.56 g/mol, XLogP of 2.30, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[3-[4-[cyclopropyl(methyl)amino]butylamino]propyl]-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 18175291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).