N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen

C13H34N4O2 — CID 161491440

IUPACN-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
SMILESNCCCCCCN.NCCCCCCNC(=O)[O-].[H+].[H][H]
InChIInChI=1S/C7H16N2O2.C6H16N2.H2/c8-5-3-1-2-4-6-9-7(10)11;7-5-3-1-2-4-6-8;/h9H,1-6,8H2,(H,10,11);1-8H2;1H
InChIKeyWFQTWVKTDJKCLL-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.26
Rot. Bonds11

About N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen

N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen (PubChem CID 161491440) has the molecular formula C13H34N4O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen.

Molecular Properties

Compound NameN-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
PubChem CID161491440
Molecular FormulaC13H34N4O2
Molecular Weight278.44 g/mol
Exact Mass278.27
IUPAC NameN-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
SMILESNCCCCCCN.NCCCCCCNC(=O)[O-].[H+].[H][H]
InChIInChI=1S/C7H16N2O2.C6H16N2.H2/c8-5-3-1-2-4-6-9-7(10)11;7-5-3-1-2-4-6-8;/h9H,1-6,8H2,(H,10,11);1-8H2;1H
InChIKeyWFQTWVKTDJKCLL-UHFFFAOYSA-N
XLogP0.26
TPSA130.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

amino N-(6-aminohexyl)carbamate
CID 174870719
sodium N-dodecylcarbamate
CID 141389395
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
N-(4-azaniumylbutyl)carbamate
CID 119096052
CID 89207186
CID 89207186
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen?
The IUPAC name of N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen (CID 161491440) is N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen.
What is the SMILES notation for N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen?
The canonical SMILES for N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen is NCCCCCCN.NCCCCCCNC(=O)[O-].[H+].[H][H].
What is the InChIKey of N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen?
The InChIKey is WFQTWVKTDJKCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.C6H16N2.H2/c8-5-3-1-2-4-6-9-7(10)11;7-5-3-1-2-4-6-8;/h9H,1-6,8H2,(H,10,11);1-8H2;1H.
What are the key properties of N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen?
N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen has a molecular weight of 278.44 g/mol, XLogP of 0.26, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen is sourced from PubChem (CID 161491440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).