6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide

C16H35N3O — CID 65290404

IUPAC6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C16H35N3O/c1-12(2)10-15(11-19(5)6)18-16(20)13(3)8-7-9-14(4)17/h12-15H,7-11,17H2,1-6H3,(H,18,20)
InChIKeyMVCNLYUTKDNMKF-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.23
Rot. Bonds10

About 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide

6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide (PubChem CID 65290404) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
PubChem CID65290404
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C16H35N3O/c1-12(2)10-15(11-19(5)6)18-16(20)13(3)8-7-9-14(4)17/h12-15H,7-11,17H2,1-6H3,(H,18,20)
InChIKeyMVCNLYUTKDNMKF-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-methyl-N-(4-methylpentan-2-yl)heptanamide
CID 65292557
3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120503128
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
CID 107221399
6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
CID 106188485
6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
6-amino-N-(dicyclopropylmethyl)-2-methylheptanamide
CID 65291779
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
6-amino-2-methyl-N-pentylheptanamide
CID 65292783

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide (CID 65290404) is 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide is CC(C)CC(CN(C)C)NC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide?
The InChIKey is MVCNLYUTKDNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-12(2)10-15(11-19(5)6)18-16(20)13(3)8-7-9-14(4)17/h12-15H,7-11,17H2,1-6H3,(H,18,20).
What are the key properties of 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide?
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide has a molecular weight of 285.48 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylheptanamide is sourced from PubChem (CID 65290404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).