N,N,N'-tributylpentanimidamide

C17H36N2 — CID 87295509

IUPACN,N,N'-tributylpentanimidamide
SMILESCCCC/N=C(\CCCC)N(CCCC)CCCC
InChIInChI=1S/C17H36N2/c1-5-9-13-17(18-14-10-6-2)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3/b18-17+
InChIKeyZPNZFHDWTVLFBS-ISLYRVAYSA-N
MW268.49 g/mol
LogP5.28
Rot. Bonds12

About N,N,N'-tributylpentanimidamide

N,N,N'-tributylpentanimidamide (PubChem CID 87295509) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,N,N'-tributylpentanimidamide.

Molecular Properties

Compound NameN,N,N'-tributylpentanimidamide
PubChem CID87295509
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,N,N'-tributylpentanimidamide
SMILESCCCC/N=C(\CCCC)N(CCCC)CCCC
InChIInChI=1S/C17H36N2/c1-5-9-13-17(18-14-10-6-2)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3/b18-17+
InChIKeyZPNZFHDWTVLFBS-ISLYRVAYSA-N
XLogP5.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
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

CID 140734254
CID 140734254
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
N,N-dibutylbutanimidamide
CID 63175446
N-butyl-N-ethylpentanamide
CID 4629847
N,N-dibutyl-N'-ethylcarbamimidoyl chloride
CID 121218469
N,N-dibutyl-N'-methylethanimidamide
CID 13042442
(N,N-dibutyl-N'-propylcarbamimidoyl)-tripropylazanium
CID 163212730
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
5-[[amino-(dioctadecylamino)methylidene]amino]pentanamide
CID 139836174
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
CID 11949663
1,2-dibutyl-1-carbamimidoylguanidine
CID 71332601
(Z)-4-amino-N-butyl-N'-(chloromethyl)-N-propylbut-3-enimidamide
CID 143392999

Frequently Asked Questions

What is the IUPAC name of N,N,N'-tributylpentanimidamide?
The IUPAC name of N,N,N'-tributylpentanimidamide (CID 87295509) is N,N,N'-tributylpentanimidamide.
What is the SMILES notation for N,N,N'-tributylpentanimidamide?
The canonical SMILES for N,N,N'-tributylpentanimidamide is CCCC/N=C(\CCCC)N(CCCC)CCCC.
What is the InChIKey of N,N,N'-tributylpentanimidamide?
The InChIKey is ZPNZFHDWTVLFBS-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-9-13-17(18-14-10-6-2)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3/b18-17+.
What are the key properties of N,N,N'-tributylpentanimidamide?
N,N,N'-tributylpentanimidamide has a molecular weight of 268.49 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-tributylpentanimidamide is sourced from PubChem (CID 87295509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).