N-(propan-2-ylideneamino)heptanamide

C10H20N2O — CID 3312106

IUPACN-(propan-2-ylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-6-7-8-10(13)12-11-9(2)3/h4-8H2,1-3H3,(H,12,13)
InChIKeyRFIDTILRNYSYSI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.47
Rot. Bonds6

About N-(propan-2-ylideneamino)heptanamide

N-(propan-2-ylideneamino)heptanamide (PubChem CID 3312106) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)heptanamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)heptanamide
PubChem CID3312106
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(propan-2-ylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-6-7-8-10(13)12-11-9(2)3/h4-8H2,1-3H3,(H,12,13)
InChIKeyRFIDTILRNYSYSI-UHFFFAOYSA-N
XLogP2.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Propyl-1,4-dihydropyrazol-5-one
CID 269244
3-Butyl-1,4-dihydropyrazol-5-one
CID 390701
Valeric acid, 2-propyl-, 2-isopropylidenehydrazide
CID 217059
N-Isopropylidene-hexadecano-hydrazide
CID 551620
3-Pentyl-1H-pyrazol-5(4H)-one
CID 12329831
N-(isopropylideneamino)dodecanamide
CID 351641
3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 487262
N-(isopropylideneamino)-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 487264
2,4-dihydro-5-undecyl-3H-pyrazol-3-one
CID 3022331
N-(propan-2-ylideneamino)octanamide
CID 4230018
N'-(propan-2-ylidene)decanehydrazide
CID 306705
N-(cyclododecylideneamino)decanamide
CID 4451493

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)heptanamide?
The IUPAC name of N-(propan-2-ylideneamino)heptanamide (CID 3312106) is N-(propan-2-ylideneamino)heptanamide.
What is the SMILES notation for N-(propan-2-ylideneamino)heptanamide?
The canonical SMILES for N-(propan-2-ylideneamino)heptanamide is CCCCCCC(=O)NN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)heptanamide?
The InChIKey is RFIDTILRNYSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-6-7-8-10(13)12-11-9(2)3/h4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(propan-2-ylideneamino)heptanamide?
N-(propan-2-ylideneamino)heptanamide has a molecular weight of 184.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)heptanamide is sourced from PubChem (CID 3312106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).