N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine

C14H29N3O — CID 79172179

IUPACN'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCN1CCOC(CN(CCCN)C2CCCC2)C1
InChIInChI=1S/C14H29N3O/c1-16-9-10-18-14(11-16)12-17(8-4-7-15)13-5-2-3-6-13/h13-14H,2-12,15H2,1H3
InChIKeyGBYDXJDJUYKMED-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds6

About N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine

N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (PubChem CID 79172179) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
PubChem CID79172179
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCN1CCOC(CN(CCCN)C2CCCC2)C1
InChIInChI=1S/C14H29N3O/c1-16-9-10-18-14(11-16)12-17(8-4-7-15)13-5-2-3-6-13/h13-14H,2-12,15H2,1H3
InChIKeyGBYDXJDJUYKMED-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172178
2-[cyclohexyl-[(4-methylmorpholin-2-yl)methyl]amino]ethanol
CID 112734144
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N'-cyclopentyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79166706
2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 79172237
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171784
N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
N'-cyclohexyl-N'-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65158410

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (CID 79172179) is N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is CN1CCOC(CN(CCCN)C2CCCC2)C1.
What is the InChIKey of N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is GBYDXJDJUYKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16-9-10-18-14(11-16)12-17(8-4-7-15)13-5-2-3-6-13/h13-14H,2-12,15H2,1H3.
What are the key properties of N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79172179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).