3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride

C13H31Cl2N3O — CID 120503128

IUPAC3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)C(C)N.Cl.Cl
InChIInChI=1S/C13H29N3O.2ClH/c1-9(2)7-12(8-16(5)6)15-13(17)10(3)11(4)14;;/h9-12H,7-8,14H2,1-6H3,(H,15,17);2*1H
InChIKeyWRUNAMUHYASXHU-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.91
Rot. Bonds7

About 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride

3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503128) has the molecular formula C13H31Cl2N3O and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
PubChem CID120503128
Molecular FormulaC13H31Cl2N3O
Molecular Weight316.32 g/mol
Exact Mass315.18
IUPAC Name3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)C(C)N.Cl.Cl
InChIInChI=1S/C13H29N3O.2ClH/c1-9(2)7-12(8-16(5)6)15-13(17)10(3)11(4)14;;/h9-12H,7-8,14H2,1-6H3,(H,15,17);2*1H
InChIKeyWRUNAMUHYASXHU-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
CID 65290404
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730
2-(cyclopropylmethoxy)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 86846922
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
4-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoylamino]-2-hydroxybutanoic acid
CID 107839083
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 62782922

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride (CID 120503128) is 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride is CC(C)CC(CN(C)C)NC(=O)C(C)C(C)N.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride?
The InChIKey is WRUNAMUHYASXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O.2ClH/c1-9(2)7-12(8-16(5)6)15-13(17)10(3)11(4)14;;/h9-12H,7-8,14H2,1-6H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride has a molecular weight of 316.32 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).