N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C18H30N2 — CID 79889119

IUPACN-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1ccccc1C1CC1)C(C)C
InChIInChI=1S/C18H30N2/c1-14(2)20(15(3)4)12-11-19-13-17-7-5-6-8-18(17)16-9-10-16/h5-8,14-16,19H,9-13H2,1-4H3
InChIKeyBRNIVOSJNMPLDA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds8

About N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 79889119) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID79889119
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1ccccc1C1CC1)C(C)C
InChIInChI=1S/C18H30N2/c1-14(2)20(15(3)4)12-11-19-13-17-7-5-6-8-18(17)16-9-10-16/h5-8,14-16,19H,9-13H2,1-4H3
InChIKeyBRNIVOSJNMPLDA-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
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

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CID 44414708
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CID 44414840

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 79889119) is N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCc1ccccc1C1CC1)C(C)C.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is BRNIVOSJNMPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)20(15(3)4)12-11-19-13-17-7-5-6-8-18(17)16-9-10-16/h5-8,14-16,19H,9-13H2,1-4H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79889119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).