1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine

C15H32N2O — CID 106821919

IUPAC1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCCCCN(C(C)C)C1(CN)CC(OCC)C1
InChIInChI=1S/C15H32N2O/c1-5-7-8-9-17(13(3)4)15(12-16)10-14(11-15)18-6-2/h13-14H,5-12,16H2,1-4H3
InChIKeySMKCZJYIEBWAQZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.78
Rot. Bonds9

About 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 106821919) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID106821919
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCCCCN(C(C)C)C1(CN)CC(OCC)C1
InChIInChI=1S/C15H32N2O/c1-5-7-8-9-17(13(3)4)15(12-16)10-14(11-15)18-6-2/h13-14H,5-12,16H2,1-4H3
InChIKeySMKCZJYIEBWAQZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
1-(aminomethyl)-3-ethoxy-N-ethyl-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821942
1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 63471199
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872350
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methylaniline
CID 106821670
3-(aminomethyl)-2-methyl-N-pentyl-N-propan-2-ylthian-3-amine
CID 79952503
1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821943

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine (CID 106821919) is 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine is CCCCCN(C(C)C)C1(CN)CC(OCC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is SMKCZJYIEBWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-7-8-9-17(13(3)4)15(12-16)10-14(11-15)18-6-2/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-pentyl-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 106821919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).