N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H32N2 — CID 106329578

IUPACN-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2C(C)(CC)CC
InChIInChI=1S/C16H32N2/c1-5-16(4,6-2)18-14-9-8-10-15(18)12-13(11-14)17-7-3/h13-15,17H,5-12H2,1-4H3
InChIKeySUNLRTQYDCZHGG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds5

About N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106329578) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106329578
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2C(C)(CC)CC
InChIInChI=1S/C16H32N2/c1-5-16(4,6-2)18-14-9-8-10-15(18)12-13(11-14)17-7-3/h13-15,17H,5-12H2,1-4H3
InChIKeySUNLRTQYDCZHGG-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 83024701
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712605
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
N-ethyl-1-(3-methylpentan-3-yl)piperidin-4-amine
CID 106329162
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 106329578) is N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2C(C)(CC)CC.
What is the InChIKey of N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is SUNLRTQYDCZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-16(4,6-2)18-14-9-8-10-15(18)12-13(11-14)17-7-3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106329578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).