N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine

C13H26N2 — CID 61443394

IUPACN,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC1CC1)CC1CC1
InChIInChI=1S/C13H26N2/c1-2-8-15(11-13-5-6-13)9-7-14-10-12-3-4-12/h12-14H,2-11H2,1H3
InChIKeyHEFZJVSJAGYTLM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds9

About N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine

N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine (PubChem CID 61443394) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
PubChem CID61443394
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC1CC1)CC1CC1
InChIInChI=1S/C13H26N2/c1-2-8-15(11-13-5-6-13)9-7-14-10-12-3-4-12/h12-14H,2-11H2,1H3
InChIKeyHEFZJVSJAGYTLM-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
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-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 60867853
N-(1-cyclopropylethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 62555040
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]ethanol
CID 61445061
N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62555373

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine (CID 61443394) is N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine is CCCN(CCNCC1CC1)CC1CC1.
What is the InChIKey of N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The InChIKey is HEFZJVSJAGYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-8-15(11-13-5-6-13)9-7-14-10-12-3-4-12/h12-14H,2-11H2,1H3.
What are the key properties of N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 61443394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).