1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine

C17H36N2O2 — CID 60709839

IUPAC1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O2/c1-16(2,3)15-6-8-17(14-18,9-7-15)19(10-12-20-4)11-13-21-5/h15H,6-14,18H2,1-5H3
InChIKeyRPLRLANJPNROCL-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.52
Rot. Bonds8

About 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine

1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 60709839) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
PubChem CID60709839
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O2/c1-16(2,3)15-6-8-17(14-18,9-7-15)19(10-12-20-4)11-13-21-5/h15H,6-14,18H2,1-5H3
InChIKeyRPLRLANJPNROCL-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine (CID 60709839) is 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine is COCCN(CCOC)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is RPLRLANJPNROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-16(2,3)15-6-8-17(14-18,9-7-15)19(10-12-20-4)11-13-21-5/h15H,6-14,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine?
1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 60709839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).