N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine

C14H30N2O — CID 114119731

IUPACN'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
SMILESCOC1CC(NCCCCCCCN)C1(C)C
InChIInChI=1S/C14H30N2O/c1-14(2)12(11-13(14)17-3)16-10-8-6-4-5-7-9-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyCARHFOSFBDCQNT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.30
Rot. Bonds9

About N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine

N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine (PubChem CID 114119731) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
PubChem CID114119731
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
SMILESCOC1CC(NCCCCCCCN)C1(C)C
InChIInChI=1S/C14H30N2O/c1-14(2)12(11-13(14)17-3)16-10-8-6-4-5-7-9-15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyCARHFOSFBDCQNT-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
N'-(2-methylcyclopropyl)heptane-1,7-diamine
CID 62409211
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide
CID 114119503
3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351596
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine?
The IUPAC name of N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine (CID 114119731) is N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine.
What is the SMILES notation for N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine?
The canonical SMILES for N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine is COC1CC(NCCCCCCCN)C1(C)C.
What is the InChIKey of N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine?
The InChIKey is CARHFOSFBDCQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2)12(11-13(14)17-3)16-10-8-6-4-5-7-9-15/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine?
N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine is sourced from PubChem (CID 114119731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).