4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide

C12H25N3O2 — CID 66431190

IUPAC4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)NCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-9(2)15-12(16)6-10(7-13)14-8-11-4-3-5-17-11/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyWXARLCTYJSPJBO-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.00
Rot. Bonds7

About 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide

4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide (PubChem CID 66431190) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide
PubChem CID66431190
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)NCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-9(2)15-12(16)6-10(7-13)14-8-11-4-3-5-17-11/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyWXARLCTYJSPJBO-UHFFFAOYSA-N
XLogP-0.00
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
3-(oxan-2-ylmethylamino)butanamide
CID 115676557
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
4-ethylsulfanyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 116504175
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide (CID 66431190) is 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(CN)NCC1CCCO1.
What is the InChIKey of 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide?
The InChIKey is WXARLCTYJSPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)15-12(16)6-10(7-13)14-8-11-4-3-5-17-11/h9-11,14H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide?
4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(oxolan-2-ylmethylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66431190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).