N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine

C19H38N2 — CID 107871429

IUPACN-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCNC(C1CC1)C1CC1)CCC(C)C
InChIInChI=1S/C19H38N2/c1-15(2)9-12-21(13-10-16(3)4)14-11-20-19(17-5-6-17)18-7-8-18/h15-20H,5-14H2,1-4H3
InChIKeyKJISKIXEFPISPS-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.16
Rot. Bonds12

About N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine

N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine (PubChem CID 107871429) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
PubChem CID107871429
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCNC(C1CC1)C1CC1)CCC(C)C
InChIInChI=1S/C19H38N2/c1-15(2)9-12-21(13-10-16(3)4)14-11-20-19(17-5-6-17)18-7-8-18/h15-20H,5-14H2,1-4H3
InChIKeyKJISKIXEFPISPS-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 55090020
N'-(cyclopropylmethyl)-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 63941075
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
N-(1-cyclopropylethyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557230
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63725313
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067423
5-(dicyclopropylmethylamino)pentan-2-ol
CID 107270439
N'-cyclohexyl-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 62575722
N-(dicyclopropylmethyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 81067870
N-(1-cyclopropylethyl)-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82965219
N-(dicyclopropylmethyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 55088152

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine (CID 107871429) is N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(CCNC(C1CC1)C1CC1)CCC(C)C.
What is the InChIKey of N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is KJISKIXEFPISPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15(2)9-12-21(13-10-16(3)4)14-11-20-19(17-5-6-17)18-7-8-18/h15-20H,5-14H2,1-4H3.
What are the key properties of N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.16, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 107871429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).