N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

C16H34N2 — CID 62258875

IUPACN-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)C)CN(CC(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-7-16(6,11-17-14(4)5)12-18(10-13(2)3)15-8-9-15/h13-15,17H,7-12H2,1-6H3
InChIKeySHVAEZFXVBSZDI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds9

About N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62258875) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62258875
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)C)CN(CC(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-7-16(6,11-17-14(4)5)12-18(10-13(2)3)15-8-9-15/h13-15,17H,7-12H2,1-6H3
InChIKeySHVAEZFXVBSZDI-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,2-diethyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62260593
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 55197311
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260416
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827129
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62276803
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62258875) is N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is CCC(C)(CNC(C)C)CN(CC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is SHVAEZFXVBSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-16(6,11-17-14(4)5)12-18(10-13(2)3)15-8-9-15/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62258875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).