4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide

C14H27N3O2 — CID 66432240

IUPAC4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
SMILESCN(CC1CCCOC1)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C14H27N3O2/c1-17(9-11-3-2-6-19-10-11)13(8-15)7-14(18)16-12-4-5-12/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyLWMDCDPZASANGV-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.34
Rot. Bonds7

About 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide

4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide (PubChem CID 66432240) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
PubChem CID66432240
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
SMILESCN(CC1CCCOC1)C(CN)CC(=O)NC1CC1
InChIInChI=1S/C14H27N3O2/c1-17(9-11-3-2-6-19-10-11)13(8-15)7-14(18)16-12-4-5-12/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyLWMDCDPZASANGV-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide
CID 82735649
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
4-amino-N-cyclopropyl-3-[methyl(3-methylbutyl)amino]butanamide
CID 66430996
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
4-amino-N-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432647
4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
CID 81058816
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide (CID 66432240) is 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide is CN(CC1CCCOC1)C(CN)CC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide?
The InChIKey is LWMDCDPZASANGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-17(9-11-3-2-6-19-10-11)13(8-15)7-14(18)16-12-4-5-12/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide?
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide has a molecular weight of 269.39 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide is sourced from PubChem (CID 66432240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).