3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide

C14H30N2O — CID 62837477

IUPAC3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
SMILESCCNC(C)CC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C14H30N2O/c1-6-15-13(5)10-14(17)16-12(4)9-7-8-11(2)3/h11-13,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyXEMQQENMMYJLFA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.71
Rot. Bonds9

About 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide

3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide (PubChem CID 62837477) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
PubChem CID62837477
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
SMILESCCNC(C)CC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C14H30N2O/c1-6-15-13(5)10-14(17)16-12(4)9-7-8-11(2)3/h11-13,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyXEMQQENMMYJLFA-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methylheptan-2-yl)butanamide
CID 60644759
4-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 81087048
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-(ethylamino)-7-methyloctan-4-one
CID 116566607
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
CID 62838445
N-butyl-3-(ethylamino)butanamide
CID 62838234
3-methylbutyl 3-(ethylamino)butanoate
CID 62828197
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
3-(ethylamino)-N',N'-dimethylbutanehydrazide
CID 83021084
3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138255

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide (CID 62837477) is 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide is CCNC(C)CC(=O)NC(C)CCCC(C)C.
What is the InChIKey of 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide?
The InChIKey is XEMQQENMMYJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-15-13(5)10-14(17)16-12(4)9-7-8-11(2)3/h11-13,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide?
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide has a molecular weight of 242.41 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide is sourced from PubChem (CID 62837477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).