1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine

C9H20N2O2 — CID 23318253

IUPAC1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine
SMILESNCC1(N(O)O)CCCCCCC1
InChIInChI=1S/C9H20N2O2/c10-8-9(11(12)13)6-4-2-1-3-5-7-9/h12-13H,1-8,10H2
InChIKeyMRRDWMUKTYPGJN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine

1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine (PubChem CID 23318253) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine
PubChem CID23318253
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine
SMILESNCC1(N(O)O)CCCCCCC1
InChIInChI=1S/C9H20N2O2/c10-8-9(11(12)13)6-4-2-1-3-5-7-9/h12-13H,1-8,10H2
InChIKeyMRRDWMUKTYPGJN-UHFFFAOYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
CID 43271985
1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
CID 63467204
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
N-[1-(aminomethyl)cyclohexyl]-N-methylpiperidine-1-carboxamide
CID 79155705
6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
CID 107702972
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
CID 62008325

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine (CID 23318253) is 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine is NCC1(N(O)O)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine?
The InChIKey is MRRDWMUKTYPGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c10-8-9(11(12)13)6-4-2-1-3-5-7-9/h12-13H,1-8,10H2.
What are the key properties of 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine?
1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine is sourced from PubChem (CID 23318253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).