N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine

C17H36N2 — CID 63493471

IUPACN'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(CC(C)C)CC(C)C
InChIInChI=1S/C17H36N2/c1-7-17(6,12-18-16-8-9-16)13-19(10-14(2)3)11-15(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyCJEPJVDTWKMIJS-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds10

About N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine

N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine (PubChem CID 63493471) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
PubChem CID63493471
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(CC(C)C)CC(C)C
InChIInChI=1S/C17H36N2/c1-7-17(6,12-18-16-8-9-16)13-19(10-14(2)3)11-15(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyCJEPJVDTWKMIJS-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2,2-diethyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63495326
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55056542
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-diethyl-2-methylpropane-1,3-diamine
CID 102997075
3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
CID 113469034
N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260393
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256737
3-[bis(2-methylpropyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64828074
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864351
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine (CID 63493471) is N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine is CCC(C)(CNC1CC1)CN(CC(C)C)CC(C)C.
What is the InChIKey of N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine?
The InChIKey is CJEPJVDTWKMIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-17(6,12-18-16-8-9-16)13-19(10-14(2)3)11-15(4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine?
N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 10 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,N-bis(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63493471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).