N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C13H28N2 — CID 115708770

IUPACN-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(NCCCN(C)C(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-5-13(12-7-8-12)14-9-6-10-15(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyRDXWWSFBUCLKJF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds8

About N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 115708770) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID115708770
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(NCCCN(C)C(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-5-13(12-7-8-12)14-9-6-10-15(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyRDXWWSFBUCLKJF-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
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

1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide
CID 115715078
methyl 4-(1-cyclopropylpropylamino)butanoate
CID 64919715
N-(1-cyclopropylpropyl)hex-5-yn-1-amine
CID 103903633
ethyl 4-(1-cyclopropylpropylamino)butanoate
CID 64917599
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N'-(1-cyclopropylethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 61387261
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
CID 106049193
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894079

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 115708770) is N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CCC(NCCCN(C)C(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is RDXWWSFBUCLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(12-7-8-12)14-9-6-10-15(4)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115708770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).