1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine

C16H34N2O2 — CID 65088170

IUPAC1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2O2/c1-15(2)6-5-7-16(14-17,9-8-15)18(10-12-19-3)11-13-20-4/h5-14,17H2,1-4H3
InChIKeyMTTZKAKWQYOGBR-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.27
Rot. Bonds8

About 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65088170) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65088170
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOCCN(CCOC)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2O2/c1-15(2)6-5-7-16(14-17,9-8-15)18(10-12-19-3)11-13-20-4/h5-14,17H2,1-4H3
InChIKeyMTTZKAKWQYOGBR-UHFFFAOYSA-N
XLogP2.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65088625
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine
CID 79958506
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 54985469
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine (CID 65088170) is 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine is COCCN(CCOC)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is MTTZKAKWQYOGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-15(2)6-5-7-16(14-17,9-8-15)18(10-12-19-3)11-13-20-4/h5-14,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65088170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).