[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol

C16H31NO — CID 115320185

IUPAC[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)C1CCCC(NCC2(CO)CC2)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-5-4-6-14(8-7-13)17-11-16(12-18)9-10-16/h13-14,17-18H,4-12H2,1-3H3
InChIKeySRKZLTWUKBUAPP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds4

About [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol

[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol (PubChem CID 115320185) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol
PubChem CID115320185
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)C1CCCC(NCC2(CO)CC2)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-5-4-6-14(8-7-13)17-11-16(12-18)9-10-16/h13-14,17-18H,4-12H2,1-3H3
InChIKeySRKZLTWUKBUAPP-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
CID 114107440
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63508585
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]cyclohexan-1-ol
CID 106594924
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
CID 106252194
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
CID 65089746
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol (CID 115320185) is [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol is CC(C)(C)C1CCCC(NCC2(CO)CC2)CC1.
What is the InChIKey of [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is SRKZLTWUKBUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)13-5-4-6-14(8-7-13)17-11-16(12-18)9-10-16/h13-14,17-18H,4-12H2,1-3H3.
What are the key properties of [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol?
[1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-tert-butylcycloheptyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115320185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).