N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine

C16H29NO2 — CID 79897814

IUPACN-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESC1CCCC(NC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H29NO2/c1-2-4-6-14(5-3-1)17-15-7-10-19-16(13-15)8-11-18-12-9-16/h14-15,17H,1-13H2
InChIKeyPRTWDXBEEFPPDE-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.03
Rot. Bonds2

About N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine

N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79897814) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79897814
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESC1CCCC(NC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H29NO2/c1-2-4-6-14(5-3-1)17-15-7-10-19-16(13-15)8-11-18-12-9-16/h14-15,17H,1-13H2
InChIKeyPRTWDXBEEFPPDE-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-cyclododecyloxan-4-amine
CID 43609748
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79897814) is N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine is C1CCCC(NC2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is PRTWDXBEEFPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-4-6-14(5-3-1)17-15-7-10-19-16(13-15)8-11-18-12-9-16/h14-15,17H,1-13H2.
What are the key properties of N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine?
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 267.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79897814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).