1-(1-methoxycyclobutyl)-3-methylbutan-1-amine

C10H21NO — CID 116713868

IUPAC1-(1-methoxycyclobutyl)-3-methylbutan-1-amine
SMILESCOC1(C(N)CC(C)C)CCC1
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11)10(12-3)5-4-6-10/h8-9H,4-7,11H2,1-3H3
InChIKeyTWQLRHIPZFKQIH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine

1-(1-methoxycyclobutyl)-3-methylbutan-1-amine (PubChem CID 116713868) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-methylbutan-1-amine
PubChem CID116713868
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(1-methoxycyclobutyl)-3-methylbutan-1-amine
SMILESCOC1(C(N)CC(C)C)CCC1
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11)10(12-3)5-4-6-10/h8-9H,4-7,11H2,1-3H3
InChIKeyTWQLRHIPZFKQIH-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
4,4,4-Trifluoro-1-(1-methoxycyclobutyl)butan-1-amine
CID 116713962
5,5,5-Trifluoro-1-(1-methoxycyclobutyl)pentan-1-amine
CID 116713998
1-(1-Amino-3-methylbutyl)cyclobutan-1-ol
CID 18373842
1-(1-Methoxycyclohexyl)ethanamine
CID 21834850
1-[(1R)-1-amino-3-methylbutyl]cyclobutan-1-ol
CID 22084834
(3R)-2-methoxy-2,5-dimethylhexan-3-amine
CID 57790342
(3S)-2-methoxy-2,5-dimethylhexan-3-amine
CID 57790986
4-Methoxy-5,6-dimethyloctan-3-amine
CID 59957248
2-Hexyl-2-methyloxetan-3-amine
CID 118588702
4-Methoxy-4,5,7-trimethylnonan-3-amine
CID 123550932
1-Methoxy-7-methylnonan-2-amine
CID 124014342

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine (CID 116713868) is 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine is COC1(C(N)CC(C)C)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine?
The InChIKey is TWQLRHIPZFKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-9(11)10(12-3)5-4-6-10/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine?
1-(1-methoxycyclobutyl)-3-methylbutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-methylbutan-1-amine is sourced from PubChem (CID 116713868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).