N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide

C14H29N5 — CID 71514801

IUPACN-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide
SMILESCCCCCC/N=C(/N=C(N)N)N1CCCCCC1
InChIInChI=1S/C14H29N5/c1-2-3-4-7-10-17-14(18-13(15)16)19-11-8-5-6-9-12-19/h2-12H2,1H3,(H4,15,16,17,18)
InChIKeyCUSXAKDZORHCTF-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.07
Rot. Bonds5

About N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide

N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide (PubChem CID 71514801) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide
PubChem CID71514801
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC NameN-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide
SMILESCCCCCC/N=C(/N=C(N)N)N1CCCCCC1
InChIInChI=1S/C14H29N5/c1-2-3-4-7-10-17-14(18-13(15)16)19-11-8-5-6-9-12-19/h2-12H2,1H3,(H4,15,16,17,18)
InChIKeyCUSXAKDZORHCTF-UHFFFAOYSA-N
XLogP2.07
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide (CID 71514801) is N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide is CCCCCC/N=C(/N=C(N)N)N1CCCCCC1.
What is the InChIKey of N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide?
The InChIKey is CUSXAKDZORHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-2-3-4-7-10-17-14(18-13(15)16)19-11-8-5-6-9-12-19/h2-12H2,1H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide?
N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-N'-hexylazepane-1-carboximidamide is sourced from PubChem (CID 71514801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).