2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide

C16H31N3O2 — CID 63911732

IUPAC2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(C)CC1CCCCO1)(C(N)=O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-3-9-18-16(15(17)20,13-7-8-13)12-19(2)11-14-6-4-5-10-21-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyGOSJJLOMTUELKZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.12
Rot. Bonds9

About 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide

2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide (PubChem CID 63911732) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide
PubChem CID63911732
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(C)CC1CCCCO1)(C(N)=O)C1CC1
InChIInChI=1S/C16H31N3O2/c1-3-9-18-16(15(17)20,13-7-8-13)12-19(2)11-14-6-4-5-10-21-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyGOSJJLOMTUELKZ-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide
CID 63925000
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
2-amino-2-cyclopropyl-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 63911354
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909966
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718
2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propanamide
CID 63910757
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769
2-cyclopropyl-3-[ethyl(2-methoxyethyl)amino]-2-(propylamino)propanamide
CID 63911750
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide (CID 63911732) is 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide is CCCNC(CN(C)CC1CCCCO1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide?
The InChIKey is GOSJJLOMTUELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-9-18-16(15(17)20,13-7-8-13)12-19(2)11-14-6-4-5-10-21-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide?
2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl(oxan-2-ylmethyl)amino]-2-(propylamino)propanamide is sourced from PubChem (CID 63911732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).