N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine

C16H33N3 — CID 107922937

IUPACN'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
SMILESCCN1CCC(C(C)NCCN(CC)C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-18-11-8-15(9-12-18)14(3)17-10-13-19(5-2)16-6-7-16/h14-17H,4-13H2,1-3H3
InChIKeyOKWVRSHMHUQIHH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 107922937) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
PubChem CID107922937
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
SMILESCCN1CCC(C(C)NCCN(CC)C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-18-11-8-15(9-12-18)14(3)17-10-13-19(5-2)16-6-7-16/h14-17H,4-13H2,1-3H3
InChIKeyOKWVRSHMHUQIHH-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023
N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N-(2-but-3-enoxyethyl)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 106396896
N-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63855015
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine (CID 107922937) is N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine is CCN1CCC(C(C)NCCN(CC)C2CC2)CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is OKWVRSHMHUQIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-18-11-8-15(9-12-18)14(3)17-10-13-19(5-2)16-6-7-16/h14-17H,4-13H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107922937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).