N,N-diheptylmethanimidamide

C15H32N2 — CID 91545093

IUPACN,N-diheptylmethanimidamide
SMILES[H]/N=C/N(CCCCCCC)CCCCCCC
InChIInChI=1S/C15H32N2/c1-3-5-7-9-11-13-17(15-16)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3/b16-15+
InChIKeyQESJTMTYNJIZAP-FOCLMDBBSA-N
MW240.43 g/mol
LogP4.84
Rot. Bonds13

About N,N-diheptylmethanimidamide

N,N-diheptylmethanimidamide (PubChem CID 91545093) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N,N-diheptylmethanimidamide.

Molecular Properties

Compound NameN,N-diheptylmethanimidamide
PubChem CID91545093
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN,N-diheptylmethanimidamide
SMILES[H]/N=C/N(CCCCCCC)CCCCCCC
InChIInChI=1S/C15H32N2/c1-3-5-7-9-11-13-17(15-16)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3/b16-15+
InChIKeyQESJTMTYNJIZAP-FOCLMDBBSA-N
XLogP4.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-N-phenylmethanimidamide
CID 154144971
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N-butyl-N-octadecylformamide
CID 54030417
N-ethyl-N-hexylformamide
CID 54565973
1-[[[bis(didecylamino)amino]-(didecylamino)amino]-decylamino]decane
CID 150495095
N-hex-1-enyl-N-hexylhexan-1-amine
CID 54411369
N-butyl-N-ethenylpentan-1-amine
CID 154960223
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898

Frequently Asked Questions

What is the IUPAC name of N,N-diheptylmethanimidamide?
The IUPAC name of N,N-diheptylmethanimidamide (CID 91545093) is N,N-diheptylmethanimidamide.
What is the SMILES notation for N,N-diheptylmethanimidamide?
The canonical SMILES for N,N-diheptylmethanimidamide is [H]/N=C/N(CCCCCCC)CCCCCCC.
What is the InChIKey of N,N-diheptylmethanimidamide?
The InChIKey is QESJTMTYNJIZAP-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-5-7-9-11-13-17(15-16)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3/b16-15+.
What are the key properties of N,N-diheptylmethanimidamide?
N,N-diheptylmethanimidamide has a molecular weight of 240.43 g/mol, XLogP of 4.84, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diheptylmethanimidamide is sourced from PubChem (CID 91545093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).