N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine

C14H27N3 — CID 107962477

IUPACN'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine
SMILESCCN(CCNC1CCN2CCCC12)C1CC1
InChIInChI=1S/C14H27N3/c1-2-16(12-5-6-12)11-8-15-13-7-10-17-9-3-4-14(13)17/h12-15H,2-11H2,1H3
InChIKeyIMQNPFXOUJPIDI-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.30
Rot. Bonds6

About N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine (PubChem CID 107962477) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine
PubChem CID107962477
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine
SMILESCCN(CCNC1CCN2CCCC12)C1CC1
InChIInChI=1S/C14H27N3/c1-2-16(12-5-6-12)11-8-15-13-7-10-17-9-3-4-14(13)17/h12-15H,2-11H2,1H3
InChIKeyIMQNPFXOUJPIDI-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate
CID 107246328
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
N,N-diethyl-1-[2-(ethylamino)cyclohexyl]pyrrolidin-3-amine
CID 63169941
N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853657
N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 130606432
N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
N-[(1-methylpyrrolidin-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106023953
N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]-1,1-dimethylurea
CID 83117106

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine (CID 107962477) is N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine is CCN(CCNC1CCN2CCCC12)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine?
The InChIKey is IMQNPFXOUJPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-16(12-5-6-12)11-8-15-13-7-10-17-9-3-4-14(13)17/h12-15H,2-11H2,1H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine has a molecular weight of 237.39 g/mol, XLogP of 1.30, 6 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-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 107962477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).