N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H34N2 — CID 62257932

IUPACN-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC1CC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2,12-17-10-14(3)4)13-18(5)11-15-8-9-15/h14-15,17H,6-13H2,1-5H3
InChIKeyIEXLPWMESGVEJI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds10

About N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62257932) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62257932
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)CC1CC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2,12-17-10-14(3)4)13-18(5)11-15-8-9-15/h14-15,17H,6-13H2,1-5H3
InChIKeyIEXLPWMESGVEJI-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62261307
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713223
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 55175585
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
2-ethyl-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 55257102
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62257932) is N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is IEXLPWMESGVEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(7-2,12-17-10-14(3)4)13-18(5)11-15-8-9-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62257932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).