N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine

C13H28N2 — CID 62433017

IUPACN'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)C(C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-9-14-10-5-6-11-15(3)12(2)13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyJNJLDZNFACVPHQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds9

About N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine

N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine (PubChem CID 62433017) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine
PubChem CID62433017
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)C(C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-9-14-10-5-6-11-15(3)12(2)13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyJNJLDZNFACVPHQ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 61387261
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N'-(1-cyclopropylethyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62575474
2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62568461
N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 62256297
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
1-cyclopropyl-N-ethyl-N-methylethanamine
CID 126664134
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
4-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)butanamide
CID 63053677
N-cyclopentyl-N'-(1-cyclopropylethyl)-N'-methylethane-1,2-diamine
CID 60849992
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine (CID 62433017) is N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine is CCCNCCCCN(C)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine?
The InChIKey is JNJLDZNFACVPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-9-14-10-5-6-11-15(3)12(2)13-7-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine?
N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N'-methyl-N-propylbutane-1,4-diamine is sourced from PubChem (CID 62433017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).