1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine

C14H29N3O — CID 116653050

IUPAC1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCC(C)N1CCOC(CN(C)C(CN)C2CC2)C1
InChIInChI=1S/C14H29N3O/c1-11(2)17-6-7-18-13(10-17)9-16(3)14(8-15)12-4-5-12/h11-14H,4-10,15H2,1-3H3
InChIKeyOUCRCMCOGRRJFW-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.76
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 116653050) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
PubChem CID116653050
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCC(C)N1CCOC(CN(C)C(CN)C2CC2)C1
InChIInChI=1S/C14H29N3O/c1-11(2)17-6-7-18-13(10-17)9-16(3)14(8-15)12-4-5-12/h11-14H,4-10,15H2,1-3H3
InChIKeyOUCRCMCOGRRJFW-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831938
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol
CID 102870051
4-propan-2-yl-2-propylmorpholine
CID 118118152
2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79662228
1-[[methyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115772887
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]propan-1-amine
CID 81200983
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 107488854

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine (CID 116653050) is 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine is CC(C)N1CCOC(CN(C)C(CN)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is OUCRCMCOGRRJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)17-6-7-18-13(10-17)9-16(3)14(8-15)12-4-5-12/h11-14H,4-10,15H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116653050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).