(2S)-2-(2-aminoethylamino)-N-methylheptanamide

C10H23N3O — CID 58592369

IUPAC(2S)-2-(2-aminoethylamino)-N-methylheptanamide
SMILESCCCCC[C@H](NCCN)C(=O)NC
InChIInChI=1S/C10H23N3O/c1-3-4-5-6-9(10(14)12-2)13-8-7-11/h9,13H,3-8,11H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyFHDCTJZMNFUWFB-VIFPVBQESA-N
MW201.31 g/mol
LogP0.23
Rot. Bonds8

About (2S)-2-(2-aminoethylamino)-N-methylheptanamide

(2S)-2-(2-aminoethylamino)-N-methylheptanamide (PubChem CID 58592369) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylamino)-N-methylheptanamide.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylamino)-N-methylheptanamide
PubChem CID58592369
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(2S)-2-(2-aminoethylamino)-N-methylheptanamide
SMILESCCCCC[C@H](NCCN)C(=O)NC
InChIInChI=1S/C10H23N3O/c1-3-4-5-6-9(10(14)12-2)13-8-7-11/h9,13H,3-8,11H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyFHDCTJZMNFUWFB-VIFPVBQESA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
2-(tridecylamino)octanamide
CID 154123950
N-(3-aminopropyl)-2-(hydroxyamino)heptanamide
CID 142081006
sodium (2S)-6-amino-2-(octadecylamino)hexanoate
CID 172749951

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylamino)-N-methylheptanamide?
The IUPAC name of (2S)-2-(2-aminoethylamino)-N-methylheptanamide (CID 58592369) is (2S)-2-(2-aminoethylamino)-N-methylheptanamide.
What is the SMILES notation for (2S)-2-(2-aminoethylamino)-N-methylheptanamide?
The canonical SMILES for (2S)-2-(2-aminoethylamino)-N-methylheptanamide is CCCCC[C@H](NCCN)C(=O)NC.
What is the InChIKey of (2S)-2-(2-aminoethylamino)-N-methylheptanamide?
The InChIKey is FHDCTJZMNFUWFB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-4-5-6-9(10(14)12-2)13-8-7-11/h9,13H,3-8,11H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethylamino)-N-methylheptanamide?
(2S)-2-(2-aminoethylamino)-N-methylheptanamide has a molecular weight of 201.31 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylamino)-N-methylheptanamide is sourced from PubChem (CID 58592369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).