azane;cycloheptanamine

C7H18N2 — CID 135353953

IUPACazane;cycloheptanamine
SMILESN.NC1CCCCCC1
InChIInChI=1S/C7H15N.H3N/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H3
InChIKeyTXINDDZFXFDPDX-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.83
Rot. Bonds

About azane;cycloheptanamine

azane;cycloheptanamine (PubChem CID 135353953) has the molecular formula C7H18N2 and a molecular weight of 130.24 g/mol. Its IUPAC name is azane;cycloheptanamine.

Molecular Properties

Compound Nameazane;cycloheptanamine
PubChem CID135353953
Molecular FormulaC7H18N2
Molecular Weight130.24 g/mol
Exact Mass130.15
IUPAC Nameazane;cycloheptanamine
SMILESN.NC1CCCCCC1
InChIInChI=1S/C7H15N.H3N/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H3
InChIKeyTXINDDZFXFDPDX-UHFFFAOYSA-N
XLogP1.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;cyclopentanamine
CID 69254255
cyclohexanamine;thiohydroxylamine
CID 143520299
carbanide;cyclododecanamine;titanium(2+)
CID 174995468
bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
CID 175698442
CID 175698442
cyclopentanamine;platinum(2+)
CID 21144800
azane;cyclohexanamine;dichloroplatinum
CID 11603349
cyclohexanamine;cyclohexylmethanamine
CID 174974863
5-methylcyclododecan-1-amine
CID 138488786
cyclohexanamine;ethanol
CID 159108869
cycloheptanamine;ethanol
CID 158239152
(1,2,3-13C3)cyclopropanamine
CID 76972988

Frequently Asked Questions

What is the IUPAC name of azane;cycloheptanamine?
The IUPAC name of azane;cycloheptanamine (CID 135353953) is azane;cycloheptanamine.
What is the SMILES notation for azane;cycloheptanamine?
The canonical SMILES for azane;cycloheptanamine is N.NC1CCCCCC1.
What is the InChIKey of azane;cycloheptanamine?
The InChIKey is TXINDDZFXFDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.H3N/c8-7-5-3-1-2-4-6-7;/h7H,1-6,8H2;1H3.
What are the key properties of azane;cycloheptanamine?
azane;cycloheptanamine has a molecular weight of 130.24 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cycloheptanamine is sourced from PubChem (CID 135353953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).