N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine

C12H26N2 — CID 165455015

IUPACN-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)N(CCCNC1CC1)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-5-8-13-12-6-7-12/h10-13H,5-9H2,1-4H3
InChIKeyWAJVXVBIVWUXCG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds7

About N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine

N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine (PubChem CID 165455015) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
PubChem CID165455015
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)N(CCCNC1CC1)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-5-8-13-12-6-7-12/h10-13H,5-9H2,1-4H3
InChIKeyWAJVXVBIVWUXCG-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
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-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
1-[3-(cyclopropylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 149151323
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427327
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine (CID 165455015) is N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine is CC(C)N(CCCNC1CC1)C(C)C.
What is the InChIKey of N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
The InChIKey is WAJVXVBIVWUXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14(11(3)4)9-5-8-13-12-6-7-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine?
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 165455015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).