N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine

C12H26N2 — CID 62573810

IUPACN-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC(C)C1CC1
InChIInChI=1S/C12H26N2/c1-4-9-14(5-2)10-8-13-11(3)12-6-7-12/h11-13H,4-10H2,1-3H3
InChIKeyMXYGXCMWFVGPGB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds8

About N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine

N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 62573810) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID62573810
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC(C)C1CC1
InChIInChI=1S/C12H26N2/c1-4-9-14(5-2)10-8-13-11(3)12-6-7-12/h11-13H,4-10H2,1-3H3
InChIKeyMXYGXCMWFVGPGB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 62555040
N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine
CID 131969265
N-(1-cyclobutylpropan-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 115726252
N-(1-cyclopropylethyl)-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82965219
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62557377
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine (CID 62573810) is N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is MXYGXCMWFVGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-9-14(5-2)10-8-13-11(3)12-6-7-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62573810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).