N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine

C14H29N3 — CID 63725313

IUPACN-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(C)CCN(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C14H29N3/c1-16(2)10-11-17(3)9-8-15-14(12-4-5-12)13-6-7-13/h12-15H,4-11H2,1-3H3
InChIKeyMROCBVWWLQHKBR-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.26
Rot. Bonds9

About N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 63725313) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
PubChem CID63725313
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(C)CCN(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C14H29N3/c1-16(2)10-11-17(3)9-8-15-14(12-4-5-12)13-6-7-13/h12-15H,4-11H2,1-3H3
InChIKeyMROCBVWWLQHKBR-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine (CID 63725313) is N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine is CN(C)CCN(C)CCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is MROCBVWWLQHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(2)10-11-17(3)9-8-15-14(12-4-5-12)13-6-7-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63725313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).